REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2aqd_1_A DATA FIRST_RESID 4 DATA SEQUENCE LVHVASVEKG RSYEDFQKVY NAIALKLRED DEYDNYIGYG PVLVRLAWHI DATA SEQUENCE SGTWDKHDNT GGSYGGTYRF KKEFNDPSNA GLQNGFKFLE PIHKEFPWIS DATA SEQUENCE SGDLFSLGGV TAVQEMQGPK IPWRCGRVDT PEDTTPDNGR LPDADKDAGY DATA SEQUENCE VRTFFQRLNM NDREVVALMG AHALGKTHLK NSGYEGPGGA ANNVFTNEFY DATA SEQUENCE LNLLNEDWKL EKNDANNEQW DSKSGYMMLP TDYSLIQDPK YLSIVKEYAN DATA SEQUENCE DQDKFFKDFS KAFEKLLENG ITFPKDAPSP FIFKTLEEQG L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.689 176.870 -0.302 0.000 1.165 4 L CA 0.000 54.723 54.840 -0.195 0.000 0.813 4 L CB 0.000 41.951 42.059 -0.180 0.000 0.961 5 V N 4.407 124.136 119.914 -0.308 0.000 2.448 5 V HA 0.648 5.238 4.120 0.784 0.000 0.295 5 V C -0.479 175.379 176.094 -0.393 0.000 1.025 5 V CA -0.618 61.502 62.300 -0.301 0.000 0.859 5 V CB 1.913 33.640 31.823 -0.161 0.000 0.988 5 V HN 0.832 nan 8.190 nan 0.000 0.431 6 H N 3.470 122.313 119.070 -0.379 0.000 2.638 6 H HA 0.453 5.477 4.556 0.780 0.000 0.303 6 H C -0.527 174.422 175.328 -0.632 0.000 1.034 6 H CA -0.439 55.137 56.048 -0.786 0.000 1.225 6 H CB 1.709 30.595 29.762 -1.460 0.000 1.394 6 H HN 0.387 nan 8.280 nan 0.000 0.477 7 V N 2.576 122.373 119.914 -0.196 0.000 2.432 7 V HA 0.329 4.919 4.120 0.784 0.000 0.275 7 V C 0.917 177.045 176.094 0.057 0.000 1.043 7 V CA -0.995 61.248 62.300 -0.094 0.000 0.925 7 V CB 1.047 32.853 31.823 -0.029 0.000 0.985 7 V HN 0.863 nan 8.190 nan 0.000 0.466 8 A N 4.047 126.817 122.820 -0.083 0.000 2.520 8 A HA 0.446 5.236 4.320 0.784 0.000 0.245 8 A C 0.507 178.122 177.584 0.052 0.000 1.072 8 A CA 0.289 52.309 52.037 -0.029 0.000 0.761 8 A CB 0.269 19.108 19.000 -0.269 0.000 1.004 8 A HN 0.871 nan 8.150 nan 0.000 0.499 9 S N 2.581 118.328 115.700 0.077 0.000 2.756 9 S HA 0.438 5.378 4.470 0.784 0.000 0.303 9 S C -0.471 174.192 174.600 0.106 0.000 1.135 9 S CA -0.612 57.640 58.200 0.086 0.000 1.066 9 S CB 0.470 63.724 63.200 0.090 0.000 1.008 9 S HN 0.748 nan 8.310 nan 0.000 0.482 10 V N 5.027 125.018 119.914 0.128 0.000 2.617 10 V HA 0.057 4.648 4.120 0.784 0.000 0.304 10 V C 0.552 176.774 176.094 0.213 0.000 1.040 10 V CA -0.001 62.417 62.300 0.196 0.000 1.149 10 V CB -0.144 31.799 31.823 0.201 0.000 0.914 10 V HN 0.825 nan 8.190 nan 0.000 0.487 11 E N 3.412 123.800 120.200 0.313 0.000 2.529 11 E HA -0.007 4.813 4.350 0.784 0.000 0.259 11 E C 0.313 177.001 176.600 0.148 0.000 0.966 11 E CA 0.213 56.779 56.400 0.277 0.000 0.937 11 E CB 0.181 30.163 29.700 0.469 0.000 0.923 11 E HN 0.546 nan 8.360 nan 0.000 0.468 12 K N 1.991 122.446 120.400 0.090 0.000 2.453 12 K HA 0.038 4.828 4.320 0.784 0.000 0.280 12 K C 0.866 177.448 176.600 -0.029 0.000 1.045 12 K CA 0.949 57.258 56.287 0.038 0.000 1.059 12 K CB -0.191 32.328 32.500 0.032 0.000 0.901 12 K HN 0.715 nan 8.250 nan 0.000 0.475 13 G N 3.462 112.255 108.800 -0.011 0.000 2.184 13 G HA2 -0.249 4.182 3.960 0.784 0.000 0.264 13 G HA3 -0.249 4.182 3.960 0.784 0.000 0.264 13 G C -0.091 174.757 174.900 -0.087 0.000 0.975 13 G CA -0.021 45.052 45.100 -0.045 0.000 0.642 13 G HN 0.576 nan 8.290 nan 0.000 0.536 14 R N 0.634 121.083 120.500 -0.084 0.000 2.500 14 R HA 0.721 5.531 4.340 0.784 0.000 0.275 14 R C 0.620 176.983 176.300 0.105 0.000 1.051 14 R CA 0.522 56.524 56.100 -0.163 0.000 1.088 14 R CB 1.390 31.472 30.300 -0.363 0.000 1.063 14 R HN 0.749 nan 8.270 nan 0.000 0.511 15 S N -0.025 115.715 115.700 0.067 0.000 2.840 15 S HA 0.161 5.102 4.470 0.784 0.000 0.307 15 S C 0.745 175.425 174.600 0.134 0.000 1.180 15 S CA -0.787 57.540 58.200 0.213 0.000 0.846 15 S CB 0.437 63.716 63.200 0.132 0.000 1.233 15 S HN 0.648 nan 8.310 nan 0.000 0.548 16 Y N 1.443 121.620 120.300 -0.206 0.000 2.102 16 Y HA -0.149 4.871 4.550 0.784 0.000 0.280 16 Y C 2.862 178.691 175.900 -0.118 0.000 1.178 16 Y CA 3.338 61.119 58.100 -0.531 0.000 1.146 16 Y CB -1.118 37.115 38.460 -0.379 0.000 0.968 16 Y HN 0.905 nan 8.280 nan 0.000 0.504 17 E N 0.351 120.530 120.200 -0.034 0.000 2.110 17 E HA -0.218 4.602 4.350 0.784 0.000 0.193 17 E C 1.772 178.274 176.600 -0.163 0.000 0.988 17 E CA 1.629 57.965 56.400 -0.107 0.000 0.804 17 E CB -0.925 28.773 29.700 -0.004 0.000 0.745 17 E HN 0.736 nan 8.360 nan 0.000 0.458 18 D N -0.718 119.564 120.400 -0.196 0.000 2.117 18 D HA -0.088 5.023 4.640 0.784 0.000 0.197 18 D C 1.792 177.931 176.300 -0.267 0.000 0.987 18 D CA 1.351 55.179 54.000 -0.288 0.000 0.829 18 D CB -0.227 40.184 40.800 -0.648 0.000 0.961 18 D HN 0.525 nan 8.370 nan 0.000 0.460 19 F N 0.868 120.786 119.950 -0.053 0.000 2.259 19 F HA -0.070 4.928 4.527 0.785 0.000 0.298 19 F C 2.640 178.103 175.800 -0.562 0.000 1.088 19 F CA 0.426 58.336 58.000 -0.150 0.000 1.358 19 F CB -0.407 38.700 39.000 0.177 0.000 1.040 19 F HN -0.147 nan 8.300 nan 0.000 0.505 20 Q N 1.154 120.745 119.800 -0.347 0.000 2.170 20 Q HA -0.174 4.636 4.340 0.784 0.000 0.203 20 Q C 1.852 177.668 176.000 -0.308 0.000 0.976 20 Q CA 1.707 57.243 55.803 -0.446 0.000 0.858 20 Q CB -0.194 28.300 28.738 -0.408 0.000 0.907 20 Q HN 0.292 nan 8.270 nan 0.000 0.433 21 K N -0.971 119.272 120.400 -0.261 0.000 2.097 21 K HA -0.072 4.719 4.320 0.784 0.000 0.205 21 K C 1.957 178.279 176.600 -0.463 0.000 1.050 21 K CA 1.347 57.507 56.287 -0.211 0.000 0.938 21 K CB 0.001 32.470 32.500 -0.052 0.000 0.718 21 K HN 0.073 nan 8.250 nan 0.000 0.442 22 V N 0.701 120.163 119.914 -0.754 0.000 2.307 22 V HA -0.271 4.319 4.120 0.784 0.000 0.245 22 V C 2.025 177.791 176.094 -0.547 0.000 1.045 22 V CA 1.648 63.365 62.300 -0.971 0.000 1.024 22 V CB -0.641 30.645 31.823 -0.895 0.000 0.651 22 V HN 0.257 nan 8.190 nan 0.000 0.449 23 Y N 1.845 121.749 120.300 -0.660 0.000 2.040 23 Y HA -0.357 4.663 4.550 0.784 0.000 0.275 23 Y C 2.418 178.120 175.900 -0.331 0.000 1.171 23 Y CA 2.421 60.181 58.100 -0.567 0.000 1.123 23 Y CB -0.709 37.276 38.460 -0.792 0.000 0.963 23 Y HN 0.334 nan 8.280 nan 0.000 0.493 24 N N -0.307 118.377 118.700 -0.028 0.000 2.149 24 N HA -0.215 4.995 4.740 0.784 0.000 0.188 24 N C 1.948 177.417 175.510 -0.068 0.000 1.019 24 N CA 0.777 53.835 53.050 0.014 0.000 0.857 24 N CB -0.347 38.158 38.487 0.031 0.000 0.997 24 N HN 0.507 nan 8.380 nan 0.000 0.426 25 A N 1.318 124.082 122.820 -0.093 0.000 1.902 25 A HA -0.097 4.694 4.320 0.784 0.000 0.217 25 A C 2.115 179.633 177.584 -0.110 0.000 1.181 25 A CA 0.962 52.973 52.037 -0.043 0.000 0.623 25 A CB -0.559 18.506 19.000 0.108 0.000 0.818 25 A HN 0.177 nan 8.150 nan 0.000 0.443 26 I N -0.189 120.275 120.570 -0.175 0.000 2.179 26 I HA -0.292 4.349 4.170 0.784 0.000 0.242 26 I C 2.965 179.040 176.117 -0.071 0.000 1.088 26 I CA 1.165 62.398 61.300 -0.112 0.000 1.357 26 I CB -0.344 37.542 38.000 -0.191 0.000 1.051 26 I HN 0.350 nan 8.210 nan 0.000 0.409 27 A N 0.757 123.445 122.820 -0.220 0.000 1.902 27 A HA -0.131 4.659 4.320 0.784 0.000 0.217 27 A C 2.292 179.855 177.584 -0.034 0.000 1.181 27 A CA 1.351 53.285 52.037 -0.171 0.000 0.623 27 A CB -0.805 18.051 19.000 -0.239 0.000 0.818 27 A HN 0.377 nan 8.150 nan 0.000 0.443 28 L N -0.773 120.433 121.223 -0.028 0.000 2.093 28 L HA -0.153 4.658 4.340 0.784 0.000 0.208 28 L C 2.604 179.481 176.870 0.012 0.000 1.085 28 L CA 1.783 56.623 54.840 0.001 0.000 0.755 28 L CB -0.305 41.750 42.059 -0.006 0.000 0.904 28 L HN 0.425 nan 8.230 nan 0.000 0.435 29 K N 0.451 120.846 120.400 -0.009 0.000 2.155 29 K HA -0.121 4.670 4.320 0.784 0.000 0.203 29 K C 2.162 178.890 176.600 0.213 0.000 1.052 29 K CA 0.833 57.102 56.287 -0.029 0.000 0.948 29 K CB 0.049 32.328 32.500 -0.369 0.000 0.728 29 K HN 0.230 nan 8.250 nan 0.000 0.448 30 L N 0.637 122.046 121.223 0.309 0.000 2.042 30 L HA -0.208 4.603 4.340 0.784 0.000 0.210 30 L C 2.828 179.801 176.870 0.171 0.000 1.076 30 L CA 1.397 56.384 54.840 0.245 0.000 0.749 30 L CB -0.371 41.740 42.059 0.086 0.000 0.893 30 L HN 0.260 nan 8.230 nan 0.000 0.432 31 R N -0.268 120.301 120.500 0.115 0.000 2.075 31 R HA -0.193 4.618 4.340 0.784 0.000 0.232 31 R C 2.446 178.812 176.300 0.109 0.000 1.126 31 R CA 1.848 58.006 56.100 0.097 0.000 0.963 31 R CB -0.102 30.239 30.300 0.068 0.000 0.858 31 R HN 0.264 nan 8.270 nan 0.000 0.435 32 E N 0.635 120.894 120.200 0.099 0.000 2.046 32 E HA -0.113 4.707 4.350 0.784 0.000 0.190 32 E C -0.025 176.645 176.600 0.116 0.000 0.982 32 E CA 1.358 57.808 56.400 0.083 0.000 0.800 32 E CB -0.267 29.457 29.700 0.039 0.000 0.756 32 E HN 0.373 nan 8.360 nan 0.000 0.449 33 D N 1.810 122.311 120.400 0.169 0.000 2.713 33 D HA 0.086 5.197 4.640 0.784 0.000 0.229 33 D C 0.212 176.671 176.300 0.264 0.000 1.136 33 D CA 0.400 54.541 54.000 0.235 0.000 1.010 33 D CB 0.255 41.254 40.800 0.332 0.000 1.084 33 D HN 0.528 nan 8.370 nan 0.000 0.495 34 D N -0.760 119.733 120.400 0.155 0.000 2.349 34 D HA -0.098 5.013 4.640 0.784 0.000 0.215 34 D C 1.364 177.626 176.300 -0.062 0.000 1.016 34 D CA 0.315 54.393 54.000 0.130 0.000 0.870 34 D CB 0.003 40.915 40.800 0.187 0.000 0.917 34 D HN 0.354 nan 8.370 nan 0.000 0.524 35 E N 0.434 120.484 120.200 -0.250 0.000 2.299 35 E HA -0.047 4.774 4.350 0.784 0.000 0.193 35 E C 0.574 176.850 176.600 -0.539 0.000 0.998 35 E CA -0.117 55.775 56.400 -0.846 0.000 0.851 35 E CB -1.037 28.337 29.700 -0.542 0.000 0.795 35 E HN 0.487 nan 8.360 nan 0.000 0.492 36 Y N 1.621 121.706 120.300 -0.359 0.000 2.811 36 Y HA 0.204 5.224 4.550 0.782 0.000 0.334 36 Y C 0.388 176.093 175.900 -0.325 0.000 1.247 36 Y CA 0.596 58.456 58.100 -0.400 0.000 1.526 36 Y CB 0.334 38.276 38.460 -0.863 0.000 1.284 36 Y HN 0.322 nan 8.280 nan 0.000 0.586 37 D N 4.621 124.424 120.400 -0.994 0.000 2.737 37 D HA -0.306 4.804 4.640 0.784 0.000 0.238 37 D C -0.257 175.866 176.300 -0.295 0.000 1.157 37 D CA 1.561 55.128 54.000 -0.721 0.000 0.694 37 D CB -1.574 38.715 40.800 -0.850 0.000 1.021 37 D HN 0.921 nan 8.370 nan 0.000 0.420 38 N N -0.110 118.471 118.700 -0.197 0.000 2.714 38 N HA -0.305 4.905 4.740 0.784 0.000 0.252 38 N C -0.130 175.468 175.510 0.146 0.000 1.014 38 N CA 0.850 53.904 53.050 0.006 0.000 0.735 38 N CB -1.153 37.349 38.487 0.024 0.000 0.924 38 N HN 0.561 nan 8.380 nan 0.000 0.540 39 Y N -4.165 116.103 120.300 -0.054 0.000 4.729 39 Y HA -0.329 4.692 4.550 0.785 0.000 0.239 39 Y C 1.444 177.339 175.900 -0.008 0.000 1.043 39 Y CA 0.774 58.868 58.100 -0.011 0.000 2.045 39 Y CB -1.973 36.490 38.460 0.005 0.000 1.599 39 Y HN 0.419 nan 8.280 nan 0.000 0.655 40 I N -0.103 120.494 120.570 0.046 0.000 2.286 40 I HA -0.069 4.571 4.170 0.784 0.000 0.248 40 I C 1.806 177.957 176.117 0.055 0.000 1.115 40 I CA 1.421 62.743 61.300 0.036 0.000 1.392 40 I CB -0.573 37.422 38.000 -0.008 0.000 1.065 40 I HN 0.556 nan 8.210 nan 0.000 0.418 41 G N -0.432 108.393 108.800 0.042 0.000 2.796 41 G HA2 -0.300 4.131 3.960 0.784 0.000 0.571 41 G HA3 -0.300 4.131 3.960 0.784 0.000 0.571 41 G C -0.186 174.774 174.900 0.099 0.000 1.370 41 G CA -0.200 44.955 45.100 0.091 0.000 0.856 41 G HN 0.167 nan 8.290 nan 0.000 0.538 42 Y N 1.602 121.897 120.300 -0.008 0.000 2.490 42 Y HA 0.247 5.266 4.550 0.782 0.000 0.281 42 Y C 2.747 178.484 175.900 -0.272 0.000 1.174 42 Y CA 1.387 59.319 58.100 -0.279 0.000 1.295 42 Y CB 0.150 38.125 38.460 -0.808 0.000 1.062 42 Y HN 0.792 nan 8.280 nan 0.000 0.522 43 G N 1.579 110.361 108.800 -0.030 0.000 2.514 43 G HA2 -0.251 4.180 3.960 0.784 0.000 0.217 43 G HA3 -0.251 4.180 3.960 0.784 0.000 0.217 43 G C -0.594 174.301 174.900 -0.009 0.000 1.198 43 G CA 0.947 46.020 45.100 -0.044 0.000 0.780 43 G HN 0.264 nan 8.290 nan 0.000 0.565 44 P HA -0.064 nan 4.420 nan 0.000 0.215 44 P C 2.137 179.477 177.300 0.066 0.000 1.157 44 P CA 0.807 63.939 63.100 0.054 0.000 0.868 44 P CB -0.170 31.567 31.700 0.060 0.000 0.788 45 V N -0.668 119.288 119.914 0.070 0.000 2.626 45 V HA -0.187 4.404 4.120 0.784 0.000 0.252 45 V C 2.076 178.170 176.094 -0.001 0.000 1.067 45 V CA 1.537 63.869 62.300 0.053 0.000 1.081 45 V CB -1.042 30.834 31.823 0.088 0.000 0.686 45 V HN 0.011 nan 8.190 nan 0.000 0.468 46 L N -1.012 120.186 121.223 -0.042 0.000 2.109 46 L HA -0.096 4.714 4.340 0.784 0.000 0.207 46 L C 2.451 179.357 176.870 0.059 0.000 1.086 46 L CA 1.132 55.942 54.840 -0.051 0.000 0.760 46 L CB -0.550 41.420 42.059 -0.150 0.000 0.910 46 L HN 0.224 nan 8.230 nan 0.000 0.437 47 V N -0.130 119.842 119.914 0.096 0.000 2.343 47 V HA -0.285 4.306 4.120 0.784 0.000 0.247 47 V C 2.642 178.915 176.094 0.298 0.000 1.051 47 V CA 1.780 64.208 62.300 0.214 0.000 1.036 47 V CB -0.646 31.255 31.823 0.130 0.000 0.654 47 V HN 0.441 nan 8.190 nan 0.000 0.451 48 R N -0.383 120.237 120.500 0.200 0.000 2.096 48 R HA -0.160 4.651 4.340 0.784 0.000 0.235 48 R C 2.281 178.610 176.300 0.048 0.000 1.127 48 R CA 1.565 57.787 56.100 0.204 0.000 0.968 48 R CB -0.314 30.019 30.300 0.055 0.000 0.861 48 R HN 0.449 nan 8.270 nan 0.000 0.440 49 L N 0.678 121.882 121.223 -0.032 0.000 2.017 49 L HA -0.091 4.720 4.340 0.784 0.000 0.208 49 L C 2.242 179.093 176.870 -0.031 0.000 1.073 49 L CA 2.225 56.967 54.840 -0.163 0.000 0.745 49 L CB -0.718 41.203 42.059 -0.230 0.000 0.894 49 L HN 0.204 nan 8.230 nan 0.000 0.432 50 A N -0.424 122.481 122.820 0.142 0.000 1.940 50 A HA -0.278 4.512 4.320 0.784 0.000 0.219 50 A C 2.274 180.032 177.584 0.289 0.000 1.176 50 A CA 1.809 53.979 52.037 0.222 0.000 0.631 50 A CB -1.418 17.765 19.000 0.304 0.000 0.814 50 A HN 0.842 nan 8.150 nan 0.000 0.446 51 W N -0.119 121.322 121.300 0.235 0.000 2.381 51 W HA -0.168 4.968 4.660 0.793 0.000 0.301 51 W C 1.799 178.510 176.519 0.320 0.000 1.205 51 W CA 1.602 59.123 57.345 0.294 0.000 1.285 51 W CB -0.636 29.063 29.460 0.398 0.000 1.133 51 W HN 0.575 nan 8.180 nan 0.000 0.521 52 H N 1.045 119.910 119.070 -0.342 0.000 2.423 52 H HA -0.140 4.925 4.556 0.848 0.000 0.297 52 H C 2.200 177.384 175.328 -0.241 0.000 1.075 52 H CA 1.713 57.441 56.048 -0.534 0.000 1.342 52 H CB 0.110 29.636 29.762 -0.393 0.000 1.395 52 H HN 0.286 nan 8.280 nan 0.000 0.530 53 I N -1.574 118.997 120.570 0.001 0.000 2.761 53 I HA -0.042 4.599 4.170 0.784 0.000 0.261 53 I C 1.852 178.041 176.117 0.120 0.000 1.198 53 I CA 0.976 62.320 61.300 0.073 0.000 1.482 53 I CB 0.104 38.168 38.000 0.106 0.000 1.100 53 I HN -0.096 nan 8.210 nan 0.000 0.445 54 S N 1.082 116.851 115.700 0.115 0.000 2.456 54 S HA 0.216 5.157 4.470 0.784 0.000 0.224 54 S C 1.932 176.639 174.600 0.178 0.000 1.035 54 S CA 0.636 58.925 58.200 0.147 0.000 0.940 54 S CB -0.269 63.026 63.200 0.158 0.000 0.799 54 S HN 0.665 nan 8.310 nan 0.000 0.508 55 G N 1.854 110.690 108.800 0.060 0.000 2.848 55 G HA2 -0.055 4.375 3.960 0.784 0.000 0.208 55 G HA3 -0.055 4.375 3.960 0.784 0.000 0.208 55 G C 1.289 176.193 174.900 0.007 0.000 1.152 55 G CA 1.100 46.206 45.100 0.009 0.000 0.789 55 G HN 0.592 nan 8.290 nan 0.000 0.531 56 T N -3.543 111.036 114.554 0.042 0.000 3.118 56 T HA -0.024 4.796 4.350 0.784 0.000 0.260 56 T C 0.889 175.683 174.700 0.157 0.000 1.139 56 T CA -0.603 61.542 62.100 0.074 0.000 1.085 56 T CB -0.094 68.828 68.868 0.089 0.000 0.934 56 T HN 0.200 nan 8.240 nan 0.000 0.518 57 W N 2.947 124.256 121.300 0.016 0.000 2.170 57 W HA 0.403 5.524 4.660 0.768 0.000 0.342 57 W C -0.553 175.956 176.519 -0.016 0.000 1.294 57 W CA -0.479 56.879 57.345 0.023 0.000 1.246 57 W CB 0.369 29.852 29.460 0.039 0.000 1.156 57 W HN 0.024 nan 8.180 nan 0.000 0.572 58 D N 4.775 124.773 120.400 -0.670 0.000 2.505 58 D HA 0.081 5.191 4.640 0.784 0.000 0.250 58 D C 0.955 176.492 176.300 -1.272 0.000 1.164 58 D CA -0.425 53.138 54.000 -0.728 0.000 0.870 58 D CB 1.309 41.929 40.800 -0.299 0.000 1.160 58 D HN 0.578 nan 8.370 nan 0.000 0.549 59 K N 2.571 122.046 120.400 -1.541 0.000 2.281 59 K HA -0.183 4.607 4.320 0.784 0.000 0.203 59 K C 0.655 176.824 176.600 -0.718 0.000 1.046 59 K CA 1.231 56.664 56.287 -1.423 0.000 0.938 59 K CB -0.185 31.722 32.500 -0.989 0.000 0.737 59 K HN 0.416 nan 8.250 nan 0.000 0.458 60 H N 1.250 120.070 119.070 -0.417 0.000 2.428 60 H HA -0.050 4.969 4.556 0.770 0.000 0.296 60 H C 0.712 175.929 175.328 -0.185 0.000 1.062 60 H CA 1.589 57.496 56.048 -0.235 0.000 1.350 60 H CB 0.149 29.797 29.762 -0.191 0.000 1.403 60 H HN 0.675 nan 8.280 nan 0.000 0.533 61 D N -2.405 117.928 120.400 -0.112 0.000 2.538 61 D HA 0.020 5.130 4.640 0.784 0.000 0.241 61 D C 0.051 176.300 176.300 -0.084 0.000 1.297 61 D CA -0.222 53.732 54.000 -0.077 0.000 0.804 61 D CB -0.518 40.252 40.800 -0.049 0.000 1.122 61 D HN 0.070 nan 8.370 nan 0.000 0.519 62 N N 0.662 119.283 118.700 -0.131 0.000 2.714 62 N HA -0.183 5.027 4.740 0.784 0.000 0.250 62 N C -0.643 174.931 175.510 0.107 0.000 1.117 62 N CA 1.300 54.381 53.050 0.052 0.000 0.719 62 N CB -1.738 36.801 38.487 0.087 0.000 1.081 62 N HN 0.606 nan 8.380 nan 0.000 0.557 63 T N -3.090 111.476 114.554 0.020 0.000 2.849 63 T HA 0.633 5.454 4.350 0.784 0.000 0.284 63 T C 1.350 176.169 174.700 0.198 0.000 1.004 63 T CA 0.223 62.387 62.100 0.107 0.000 1.021 63 T CB 1.455 70.348 68.868 0.042 0.000 1.013 63 T HN 1.102 nan 8.240 nan 0.000 0.527 64 G N 0.260 109.200 108.800 0.234 0.000 2.601 64 G HA2 0.326 4.756 3.960 0.784 0.000 0.252 64 G HA3 0.326 4.756 3.960 0.784 0.000 0.252 64 G C 0.396 175.521 174.900 0.374 0.000 1.294 64 G CA 0.087 45.345 45.100 0.263 0.000 0.912 64 G HN 2.781 nan 8.290 nan 0.000 0.574 65 G N -2.933 106.074 108.800 0.346 0.000 2.756 65 G HA2 0.309 4.740 3.960 0.784 0.000 0.678 65 G HA3 0.309 4.740 3.960 0.784 0.000 0.678 65 G C 1.181 176.197 174.900 0.194 0.000 1.349 65 G CA 1.149 46.410 45.100 0.268 0.000 0.847 65 G HN 2.478 nan 8.290 nan 0.000 0.548 66 S N -1.078 114.699 115.700 0.128 0.000 2.447 66 S HA -0.109 4.832 4.470 0.784 0.000 0.233 66 S C 1.917 176.600 174.600 0.139 0.000 1.006 66 S CA 1.885 60.173 58.200 0.146 0.000 0.957 66 S CB -0.318 62.945 63.200 0.106 0.000 0.773 66 S HN 1.383 nan 8.310 nan 0.000 0.507 67 Y N 2.817 123.095 120.300 -0.037 0.000 2.114 67 Y HA -0.034 4.985 4.550 0.780 0.000 0.282 67 Y C 2.381 178.218 175.900 -0.105 0.000 1.165 67 Y CA 1.666 59.690 58.100 -0.127 0.000 1.148 67 Y CB -0.910 37.381 38.460 -0.282 0.000 0.972 67 Y HN 0.358 nan 8.280 nan 0.000 0.504 68 G N -1.533 107.306 108.800 0.065 0.000 2.813 68 G HA2 0.198 4.629 3.960 0.784 0.000 0.209 68 G HA3 0.198 4.629 3.960 0.784 0.000 0.209 68 G C 1.202 176.155 174.900 0.089 0.000 1.150 68 G CA 0.301 45.428 45.100 0.044 0.000 0.785 68 G HN 0.921 nan 8.290 nan 0.000 0.535 69 G N 0.356 109.235 108.800 0.133 0.000 2.221 69 G HA2 -0.300 4.131 3.960 0.784 0.000 0.265 69 G HA3 -0.300 4.131 3.960 0.784 0.000 0.265 69 G C 1.099 176.197 174.900 0.329 0.000 1.041 69 G CA 1.338 46.566 45.100 0.214 0.000 0.807 69 G HN 1.091 nan 8.290 nan 0.000 0.502 70 T N -3.342 111.423 114.554 0.350 0.000 3.118 70 T HA 0.010 4.831 4.350 0.784 0.000 0.260 70 T C 1.746 176.655 174.700 0.348 0.000 1.139 70 T CA 1.233 63.570 62.100 0.396 0.000 1.085 70 T CB -0.089 69.020 68.868 0.402 0.000 0.934 70 T HN 0.663 nan 8.240 nan 0.000 0.518 71 Y N 3.429 123.876 120.300 0.246 0.000 2.384 71 Y HA -0.150 4.866 4.550 0.777 0.000 0.289 71 Y C 2.441 178.395 175.900 0.089 0.000 1.152 71 Y CA 1.284 59.464 58.100 0.134 0.000 1.258 71 Y CB -0.280 38.152 38.460 -0.046 0.000 0.979 71 Y HN 0.282 nan 8.280 nan 0.000 0.549 72 R N -1.022 119.513 120.500 0.057 0.000 2.285 72 R HA -0.066 4.745 4.340 0.784 0.000 0.213 72 R C -0.565 175.441 176.300 -0.491 0.000 1.068 72 R CA 0.397 56.349 56.100 -0.248 0.000 1.004 72 R CB -0.738 29.490 30.300 -0.120 0.000 0.873 72 R HN 0.187 nan 8.270 nan 0.000 0.467 73 F N 1.661 121.557 119.950 -0.090 0.000 2.397 73 F HA 0.153 5.148 4.527 0.779 0.000 0.331 73 F C 1.647 177.377 175.800 -0.117 0.000 1.090 73 F CA -1.029 56.915 58.000 -0.093 0.000 1.065 73 F CB 1.798 40.791 39.000 -0.012 0.000 1.184 73 F HN -0.191 nan 8.300 nan 0.000 0.499 74 K N 1.206 121.664 120.400 0.098 0.000 2.103 74 K HA -0.229 4.561 4.320 0.784 0.000 0.207 74 K C 1.798 178.441 176.600 0.072 0.000 1.048 74 K CA 1.824 58.130 56.287 0.032 0.000 0.930 74 K CB -0.830 31.679 32.500 0.014 0.000 0.716 74 K HN 0.797 nan 8.250 nan 0.000 0.444 75 K N 0.859 121.307 120.400 0.080 0.000 2.057 75 K HA -0.205 4.585 4.320 0.784 0.000 0.207 75 K C 2.529 179.168 176.600 0.065 0.000 1.049 75 K CA 2.104 58.428 56.287 0.062 0.000 0.931 75 K CB -0.199 32.331 32.500 0.050 0.000 0.714 75 K HN 0.650 nan 8.250 nan 0.000 0.440 76 E N -0.627 119.625 120.200 0.086 0.000 2.086 76 E HA -0.138 4.682 4.350 0.784 0.000 0.190 76 E C 1.829 178.431 176.600 0.003 0.000 0.975 76 E CA 0.461 56.910 56.400 0.081 0.000 0.813 76 E CB -0.172 29.616 29.700 0.148 0.000 0.768 76 E HN 0.319 nan 8.360 nan 0.000 0.457 77 F N 1.926 121.668 119.950 -0.346 0.000 2.154 77 F HA -0.166 4.832 4.527 0.786 0.000 0.301 77 F C 1.327 176.993 175.800 -0.224 0.000 1.087 77 F CA 1.839 59.487 58.000 -0.587 0.000 1.274 77 F CB -0.031 38.569 39.000 -0.665 0.000 1.009 77 F HN 0.045 nan 8.300 nan 0.000 0.485 78 N N -0.494 118.210 118.700 0.007 0.000 2.270 78 N HA -0.045 5.166 4.740 0.784 0.000 0.198 78 N C -0.406 175.101 175.510 -0.006 0.000 1.117 78 N CA -0.179 52.869 53.050 -0.005 0.000 0.845 78 N CB -0.104 38.414 38.487 0.053 0.000 0.980 78 N HN 0.088 nan 8.380 nan 0.000 0.486 79 D N 1.665 122.067 120.400 0.003 0.000 2.531 79 D HA -0.027 5.084 4.640 0.784 0.000 0.239 79 D C -1.475 174.834 176.300 0.015 0.000 1.144 79 D CA -1.545 52.466 54.000 0.019 0.000 0.869 79 D CB 1.085 41.905 40.800 0.034 0.000 1.160 79 D HN 0.065 nan 8.370 nan 0.000 0.484 80 P HA -0.114 nan 4.420 nan 0.000 0.217 80 P C 1.126 178.454 177.300 0.045 0.000 1.148 80 P CA 0.977 64.091 63.100 0.024 0.000 0.828 80 P CB 0.227 31.941 31.700 0.024 0.000 0.783 81 S N -1.037 114.692 115.700 0.049 0.000 2.474 81 S HA -0.058 4.883 4.470 0.784 0.000 0.235 81 S C 1.302 176.004 174.600 0.170 0.000 0.997 81 S CA 0.887 59.135 58.200 0.079 0.000 0.949 81 S CB -0.687 62.505 63.200 -0.013 0.000 0.766 81 S HN 0.232 nan 8.310 nan 0.000 0.517 82 N N 1.334 120.110 118.700 0.125 0.000 2.235 82 N HA 0.297 5.508 4.740 0.784 0.000 0.209 82 N C -0.027 175.499 175.510 0.027 0.000 1.122 82 N CA -0.044 53.094 53.050 0.147 0.000 0.845 82 N CB 0.204 38.788 38.487 0.162 0.000 1.004 82 N HN 0.292 nan 8.380 nan 0.000 0.499 83 A N -0.087 122.745 122.820 0.021 0.000 2.548 83 A HA 0.454 5.244 4.320 0.784 0.000 0.247 83 A C 1.472 179.041 177.584 -0.024 0.000 1.067 83 A CA 0.885 52.911 52.037 -0.018 0.000 0.757 83 A CB -0.294 18.709 19.000 0.006 0.000 0.996 83 A HN 0.442 nan 8.150 nan 0.000 0.504 84 G N 1.194 109.961 108.800 -0.056 0.000 2.284 84 G HA2 -0.248 4.183 3.960 0.784 0.000 0.216 84 G HA3 -0.248 4.183 3.960 0.784 0.000 0.216 84 G C 0.885 175.762 174.900 -0.037 0.000 1.009 84 G CA 0.284 45.350 45.100 -0.056 0.000 0.625 84 G HN 0.758 nan 8.290 nan 0.000 0.501 85 L N 0.929 122.114 121.223 -0.063 0.000 2.362 85 L HA -0.018 4.792 4.340 0.784 0.000 0.219 85 L C 2.890 179.767 176.870 0.012 0.000 1.134 85 L CA 1.618 56.418 54.840 -0.067 0.000 0.807 85 L CB -0.367 41.601 42.059 -0.152 0.000 0.927 85 L HN 0.323 nan 8.230 nan 0.000 0.447 86 Q N 0.020 119.788 119.800 -0.053 0.000 2.197 86 Q HA -0.211 4.600 4.340 0.784 0.000 0.207 86 Q C 1.950 178.091 176.000 0.235 0.000 0.984 86 Q CA 1.491 57.328 55.803 0.057 0.000 0.869 86 Q CB -0.312 28.409 28.738 -0.029 0.000 0.906 86 Q HN 0.484 nan 8.270 nan 0.000 0.426 87 N N -0.336 118.460 118.700 0.159 0.000 2.166 87 N HA -0.106 5.104 4.740 0.784 0.000 0.186 87 N C 1.796 177.412 175.510 0.177 0.000 1.019 87 N CA 1.459 54.622 53.050 0.188 0.000 0.856 87 N CB -0.431 38.163 38.487 0.178 0.000 0.993 87 N HN 0.422 nan 8.380 nan 0.000 0.426 88 G N 0.304 109.178 108.800 0.123 0.000 2.402 88 G HA2 -0.224 4.207 3.960 0.784 0.000 0.216 88 G HA3 -0.224 4.207 3.960 0.784 0.000 0.216 88 G C 1.382 176.381 174.900 0.165 0.000 1.162 88 G CA 0.097 45.239 45.100 0.071 0.000 0.777 88 G HN 0.273 nan 8.290 nan 0.000 0.539 89 F N 1.892 121.912 119.950 0.116 0.000 2.134 89 F HA -0.045 4.953 4.527 0.785 0.000 0.299 89 F C 2.877 178.799 175.800 0.202 0.000 1.097 89 F CA 1.932 60.070 58.000 0.230 0.000 1.264 89 F CB -0.027 39.263 39.000 0.483 0.000 1.001 89 F HN 0.040 nan 8.300 nan 0.000 0.479 90 K N 0.011 120.599 120.400 0.314 0.000 2.097 90 K HA -0.182 4.608 4.320 0.784 0.000 0.206 90 K C 1.851 178.431 176.600 -0.033 0.000 1.049 90 K CA 1.370 57.745 56.287 0.145 0.000 0.933 90 K CB -1.428 31.191 32.500 0.199 0.000 0.717 90 K HN 0.545 nan 8.250 nan 0.000 0.442 91 F N 1.312 121.112 119.950 -0.249 0.000 2.095 91 F HA -0.123 4.875 4.527 0.785 0.000 0.298 91 F C 1.768 177.379 175.800 -0.315 0.000 1.104 91 F CA 1.666 59.389 58.000 -0.462 0.000 1.232 91 F CB -0.203 38.352 39.000 -0.741 0.000 0.987 91 F HN -0.026 nan 8.300 nan 0.000 0.475 92 L N -0.082 121.112 121.223 -0.048 0.000 2.478 92 L HA -0.089 4.721 4.340 0.784 0.000 0.223 92 L C 2.199 178.926 176.870 -0.239 0.000 1.140 92 L CA 0.614 55.379 54.840 -0.125 0.000 0.842 92 L CB -0.695 41.358 42.059 -0.011 0.000 0.953 92 L HN 0.221 nan 8.230 nan 0.000 0.452 93 E N 0.754 120.782 120.200 -0.286 0.000 2.049 93 E HA -0.216 4.605 4.350 0.784 0.000 0.198 93 E C -0.563 175.931 176.600 -0.177 0.000 1.007 93 E CA 1.566 57.818 56.400 -0.247 0.000 0.809 93 E CB -0.829 28.750 29.700 -0.202 0.000 0.749 93 E HN 0.450 nan 8.360 nan 0.000 0.450 94 P HA -0.118 nan 4.420 nan 0.000 0.221 94 P C 1.382 178.581 177.300 -0.167 0.000 1.150 94 P CA 0.985 63.971 63.100 -0.191 0.000 0.800 94 P CB -0.059 31.502 31.700 -0.232 0.000 0.787 95 I N -0.297 120.165 120.570 -0.180 0.000 2.179 95 I HA -0.216 4.425 4.170 0.784 0.000 0.242 95 I C 2.578 178.706 176.117 0.017 0.000 1.088 95 I CA 1.599 62.854 61.300 -0.074 0.000 1.357 95 I CB -1.961 35.955 38.000 -0.141 0.000 1.051 95 I HN 0.125 nan 8.210 nan 0.000 0.409 96 H N 1.171 120.144 119.070 -0.162 0.000 2.421 96 H HA -0.156 4.871 4.556 0.784 0.000 0.298 96 H C 2.318 177.538 175.328 -0.179 0.000 1.087 96 H CA 1.747 57.684 56.048 -0.183 0.000 1.330 96 H CB 0.401 30.039 29.762 -0.207 0.000 1.388 96 H HN 0.334 nan 8.280 nan 0.000 0.526 97 K N 1.167 121.530 120.400 -0.062 0.000 2.097 97 K HA -0.175 4.616 4.320 0.784 0.000 0.206 97 K C 1.850 178.341 176.600 -0.183 0.000 1.049 97 K CA 1.698 57.904 56.287 -0.134 0.000 0.933 97 K CB -0.575 31.846 32.500 -0.132 0.000 0.717 97 K HN 0.609 nan 8.250 nan 0.000 0.442 98 E N -1.564 118.489 120.200 -0.245 0.000 2.152 98 E HA -0.010 4.810 4.350 0.784 0.000 0.192 98 E C -0.391 175.771 176.600 -0.730 0.000 0.983 98 E CA 0.558 56.656 56.400 -0.504 0.000 0.818 98 E CB 0.065 29.369 29.700 -0.660 0.000 0.758 98 E HN 0.585 nan 8.360 nan 0.000 0.467 99 F N 0.707 120.530 119.950 -0.212 0.000 2.471 99 F HA 0.316 5.314 4.527 0.784 0.000 0.318 99 F C -1.922 173.549 175.800 -0.549 0.000 1.308 99 F CA -2.142 55.584 58.000 -0.456 0.000 1.162 99 F CB 1.583 40.168 39.000 -0.692 0.000 1.383 99 F HN -0.001 nan 8.300 nan 0.000 0.552 100 P HA -0.138 nan 4.420 nan 0.000 0.230 100 P C 1.374 178.650 177.300 -0.040 0.000 1.158 100 P CA 1.089 64.121 63.100 -0.113 0.000 0.769 100 P CB -0.072 31.579 31.700 -0.081 0.000 0.807 101 W N -0.437 120.921 121.300 0.097 0.000 2.678 101 W HA 0.200 5.332 4.660 0.785 0.000 0.256 101 W C 0.702 177.290 176.519 0.115 0.000 1.280 101 W CA -0.500 56.891 57.345 0.077 0.000 1.345 101 W CB -1.189 28.298 29.460 0.044 0.000 1.118 101 W HN -0.153 nan 8.180 nan 0.000 0.629 102 I N 3.833 124.197 120.570 -0.343 0.000 2.575 102 I HA 0.036 4.677 4.170 0.784 0.000 0.285 102 I C 1.142 177.276 176.117 0.029 0.000 1.085 102 I CA -0.113 61.076 61.300 -0.184 0.000 1.403 102 I CB 1.130 38.772 38.000 -0.596 0.000 1.409 102 I HN -0.112 nan 8.210 nan 0.000 0.557 103 S N 4.280 120.026 115.700 0.076 0.000 2.600 103 S HA 0.125 5.065 4.470 0.784 0.000 0.265 103 S C 0.984 175.477 174.600 -0.178 0.000 1.325 103 S CA -0.382 57.817 58.200 -0.002 0.000 1.002 103 S CB 1.548 64.731 63.200 -0.029 0.000 0.921 103 S HN 0.730 nan 8.310 nan 0.000 0.554 104 S N 1.826 117.396 115.700 -0.216 0.000 2.368 104 S HA 0.012 4.952 4.470 0.784 0.000 0.224 104 S C 2.120 176.207 174.600 -0.855 0.000 1.029 104 S CA 1.225 59.068 58.200 -0.596 0.000 0.988 104 S CB -1.133 61.850 63.200 -0.362 0.000 0.838 104 S HN 0.950 nan 8.310 nan 0.000 0.462 105 G N 1.534 110.121 108.800 -0.355 0.000 2.408 105 G HA2 -0.200 4.231 3.960 0.784 0.000 0.217 105 G HA3 -0.200 4.231 3.960 0.784 0.000 0.217 105 G C 1.020 175.900 174.900 -0.033 0.000 1.150 105 G CA 0.918 45.939 45.100 -0.131 0.000 0.776 105 G HN 0.364 nan 8.290 nan 0.000 0.542 106 D N 0.042 120.440 120.400 -0.003 0.000 2.117 106 D HA -0.095 5.016 4.640 0.784 0.000 0.197 106 D C 2.365 178.751 176.300 0.144 0.000 0.987 106 D CA 0.512 54.683 54.000 0.285 0.000 0.829 106 D CB -0.309 40.730 40.800 0.398 0.000 0.961 106 D HN 0.229 nan 8.370 nan 0.000 0.460 107 L N 0.036 121.138 121.223 -0.201 0.000 2.017 107 L HA -0.138 4.673 4.340 0.784 0.000 0.208 107 L C 1.952 178.758 176.870 -0.106 0.000 1.073 107 L CA 1.548 56.199 54.840 -0.316 0.000 0.745 107 L CB -0.663 41.010 42.059 -0.644 0.000 0.894 107 L HN -0.104 nan 8.230 nan 0.000 0.432 108 F N -0.084 119.854 119.950 -0.021 0.000 2.134 108 F HA -0.147 4.851 4.527 0.786 0.000 0.299 108 F C 2.909 178.734 175.800 0.041 0.000 1.097 108 F CA 1.118 59.124 58.000 0.009 0.000 1.264 108 F CB -1.852 37.174 39.000 0.045 0.000 1.001 108 F HN 0.333 nan 8.300 nan 0.000 0.479 109 S N 0.286 116.157 115.700 0.285 0.000 2.383 109 S HA -0.145 4.795 4.470 0.784 0.000 0.227 109 S C 1.998 176.701 174.600 0.172 0.000 1.026 109 S CA 0.929 59.296 58.200 0.279 0.000 0.981 109 S CB -1.044 62.386 63.200 0.384 0.000 0.818 109 S HN 0.277 nan 8.310 nan 0.000 0.472 110 L N 2.806 124.010 121.223 -0.032 0.000 2.141 110 L HA 0.226 5.037 4.340 0.784 0.000 0.209 110 L C 2.373 179.097 176.870 -0.243 0.000 1.094 110 L CA 1.684 56.229 54.840 -0.491 0.000 0.763 110 L CB -1.379 40.176 42.059 -0.839 0.000 0.908 110 L HN 0.381 nan 8.230 nan 0.000 0.437 111 G N -0.873 107.864 108.800 -0.105 0.000 2.440 111 G HA2 -0.245 4.185 3.960 0.784 0.000 0.218 111 G HA3 -0.245 4.185 3.960 0.784 0.000 0.218 111 G C 1.502 176.396 174.900 -0.011 0.000 1.154 111 G CA 0.623 45.685 45.100 -0.064 0.000 0.767 111 G HN 0.575 nan 8.290 nan 0.000 0.552 112 G N 0.203 109.070 108.800 0.111 0.000 2.402 112 G HA2 -0.093 4.338 3.960 0.784 0.000 0.216 112 G HA3 -0.093 4.338 3.960 0.784 0.000 0.216 112 G C 1.781 176.850 174.900 0.280 0.000 1.162 112 G CA 1.097 46.350 45.100 0.257 0.000 0.777 112 G HN 0.313 nan 8.290 nan 0.000 0.539 113 V N 1.153 121.226 119.914 0.264 0.000 2.287 113 V HA -0.202 4.389 4.120 0.784 0.000 0.248 113 V C 3.185 179.360 176.094 0.135 0.000 1.053 113 V CA 2.416 64.870 62.300 0.257 0.000 1.027 113 V CB -0.936 31.022 31.823 0.226 0.000 0.646 113 V HN 0.394 nan 8.190 nan 0.000 0.447 114 T N 0.348 114.887 114.554 -0.025 0.000 2.708 114 T HA -0.177 4.643 4.350 0.784 0.000 0.266 114 T C 2.063 176.651 174.700 -0.187 0.000 1.037 114 T CA 1.648 63.578 62.100 -0.282 0.000 1.146 114 T CB -0.471 68.010 68.868 -0.645 0.000 0.865 114 T HN 0.578 nan 8.240 nan 0.000 0.435 115 A N 1.045 123.794 122.820 -0.119 0.000 1.877 115 A HA -0.067 4.723 4.320 0.784 0.000 0.216 115 A C 2.612 180.156 177.584 -0.067 0.000 1.186 115 A CA 1.507 53.491 52.037 -0.088 0.000 0.620 115 A CB -1.119 17.843 19.000 -0.063 0.000 0.822 115 A HN 0.344 nan 8.150 nan 0.000 0.443 116 V N 0.098 119.960 119.914 -0.087 0.000 2.287 116 V HA -0.341 4.250 4.120 0.784 0.000 0.248 116 V C 2.690 178.650 176.094 -0.223 0.000 1.053 116 V CA 2.361 64.510 62.300 -0.251 0.000 1.027 116 V CB -0.941 30.627 31.823 -0.425 0.000 0.646 116 V HN 0.648 nan 8.190 nan 0.000 0.447 117 Q N -0.757 118.997 119.800 -0.077 0.000 2.079 117 Q HA -0.180 4.631 4.340 0.784 0.000 0.200 117 Q C 2.298 178.324 176.000 0.044 0.000 0.974 117 Q CA 1.227 57.035 55.803 0.008 0.000 0.840 117 Q CB -0.179 28.675 28.738 0.194 0.000 0.898 117 Q HN 0.595 nan 8.270 nan 0.000 0.430 118 E N 0.385 120.604 120.200 0.032 0.000 2.268 118 E HA -0.067 4.754 4.350 0.784 0.000 0.195 118 E C 1.417 178.040 176.600 0.037 0.000 0.995 118 E CA 0.777 57.198 56.400 0.035 0.000 0.836 118 E CB 0.021 29.704 29.700 -0.028 0.000 0.763 118 E HN 0.443 nan 8.360 nan 0.000 0.491 119 M N 0.145 119.760 119.600 0.024 0.000 2.581 119 M HA 0.017 4.968 4.480 0.784 0.000 0.224 119 M C -0.257 176.101 176.300 0.098 0.000 1.171 119 M CA 0.363 55.700 55.300 0.062 0.000 0.993 119 M CB -0.012 32.633 32.600 0.076 0.000 1.685 119 M HN -0.039 nan 8.290 nan 0.000 0.479 120 Q N -1.423 118.424 119.800 0.078 0.000 2.493 120 Q HA -0.128 4.683 4.340 0.784 0.000 0.260 120 Q C 0.475 176.564 176.000 0.149 0.000 0.905 120 Q CA 0.259 56.138 55.803 0.127 0.000 1.140 120 Q CB -2.289 26.546 28.738 0.161 0.000 1.435 120 Q HN 0.739 nan 8.270 nan 0.000 0.581 121 G N 1.161 109.896 108.800 -0.109 0.000 2.553 121 G HA2 0.503 4.933 3.960 0.784 0.000 0.278 121 G HA3 0.503 4.933 3.960 0.784 0.000 0.278 121 G C -2.184 172.340 174.900 -0.626 0.000 1.349 121 G CA -0.727 43.966 45.100 -0.679 0.000 1.037 121 G HN 0.043 nan 8.290 nan 0.000 0.508 122 P HA 0.185 nan 4.420 nan 0.000 0.274 122 P C -0.586 176.579 177.300 -0.225 0.000 1.237 122 P CA -0.480 62.356 63.100 -0.440 0.000 0.793 122 P CB 0.783 32.184 31.700 -0.498 0.000 0.977 123 K N 1.882 122.248 120.400 -0.057 0.000 2.448 123 K HA 0.183 4.973 4.320 0.784 0.000 0.278 123 K C 0.218 176.817 176.600 -0.002 0.000 1.009 123 K CA 0.151 56.435 56.287 -0.006 0.000 0.995 123 K CB -0.002 32.509 32.500 0.018 0.000 0.917 123 K HN 0.414 nan 8.250 nan 0.000 0.481 124 I N 5.516 126.122 120.570 0.060 0.000 2.390 124 I HA 0.223 4.864 4.170 0.784 0.000 0.283 124 I C -2.269 173.927 176.117 0.131 0.000 1.016 124 I CA -2.860 58.505 61.300 0.108 0.000 1.151 124 I CB 0.983 39.114 38.000 0.220 0.000 1.293 124 I HN 0.135 nan 8.210 nan 0.000 0.458 125 P HA 0.028 nan 4.420 nan 0.000 0.266 125 P C -1.014 176.349 177.300 0.104 0.000 1.195 125 P CA 0.215 63.328 63.100 0.021 0.000 0.768 125 P CB 0.558 32.215 31.700 -0.071 0.000 0.838 126 W N 3.892 125.121 121.300 -0.119 0.000 2.998 126 W HA 0.457 5.585 4.660 0.780 0.000 0.335 126 W C -1.072 175.324 176.519 -0.205 0.000 1.110 126 W CA -0.618 56.690 57.345 -0.061 0.000 1.230 126 W CB 1.706 31.275 29.460 0.182 0.000 1.405 126 W HN 0.210 nan 8.180 nan 0.000 0.493 127 R N 4.488 124.351 120.500 -1.060 0.000 2.562 127 R HA 0.585 5.395 4.340 0.784 0.000 0.298 127 R C -0.024 175.341 176.300 -1.558 0.000 0.961 127 R CA -0.741 54.670 56.100 -1.148 0.000 0.881 127 R CB 1.229 30.929 30.300 -1.000 0.000 1.159 127 R HN 0.666 nan 8.270 nan 0.000 0.450 128 C N -0.503 118.093 119.300 -1.173 0.000 2.396 128 C HA 0.875 5.805 4.460 0.784 0.000 0.359 128 C C 1.368 176.210 174.990 -0.246 0.000 1.307 128 C CA 0.529 59.061 59.018 -0.810 0.000 2.392 128 C CB 0.438 27.834 27.740 -0.574 0.000 2.245 128 C HN 1.054 nan 8.230 nan 0.000 0.615 129 G N 0.478 109.236 108.800 -0.070 0.000 2.175 129 G HA2 -0.119 4.312 3.960 0.784 0.000 0.182 129 G HA3 -0.119 4.312 3.960 0.784 0.000 0.182 129 G C -0.009 174.834 174.900 -0.096 0.000 1.003 129 G CA -0.237 44.864 45.100 0.003 0.000 0.666 129 G HN 0.981 nan 8.290 nan 0.000 0.506 130 R N -0.139 120.254 120.500 -0.178 0.000 2.623 130 R HA 0.442 5.253 4.340 0.784 0.000 0.271 130 R C -0.084 175.881 176.300 -0.558 0.000 1.043 130 R CA 0.223 56.036 56.100 -0.478 0.000 1.083 130 R CB 1.066 31.192 30.300 -0.289 0.000 0.974 130 R HN 0.100 nan 8.270 nan 0.000 0.436 131 V N 2.962 122.231 119.914 -1.075 0.000 2.487 131 V HA 0.088 4.678 4.120 0.784 0.000 0.298 131 V C -0.513 175.346 176.094 -0.392 0.000 1.028 131 V CA -1.017 60.968 62.300 -0.525 0.000 0.860 131 V CB 1.877 33.527 31.823 -0.288 0.000 0.991 131 V HN 0.679 nan 8.190 nan 0.000 0.427 132 D N 3.271 123.580 120.400 -0.152 0.000 2.488 132 D HA 0.289 5.399 4.640 0.784 0.000 0.238 132 D C 0.574 176.902 176.300 0.047 0.000 1.138 132 D CA 0.568 54.547 54.000 -0.035 0.000 0.873 132 D CB 0.989 41.799 40.800 0.016 0.000 1.183 132 D HN 0.798 nan 8.370 nan 0.000 0.458 133 T N -0.734 113.898 114.554 0.129 0.000 2.942 133 T HA 0.708 5.528 4.350 0.784 0.000 0.289 133 T C -2.670 172.183 174.700 0.255 0.000 1.044 133 T CA -2.097 60.111 62.100 0.179 0.000 1.023 133 T CB 1.861 70.838 68.868 0.182 0.000 1.123 133 T HN -0.051 nan 8.240 nan 0.000 0.512 134 P HA 0.281 nan 4.420 nan 0.000 0.274 134 P C 0.777 177.960 177.300 -0.196 0.000 1.256 134 P CA -0.493 62.648 63.100 0.068 0.000 0.795 134 P CB 0.502 32.208 31.700 0.010 0.000 1.038 135 E N 0.800 120.568 120.200 -0.719 0.000 2.160 135 E HA -0.247 4.574 4.350 0.784 0.000 0.195 135 E C 1.140 177.423 176.600 -0.528 0.000 0.991 135 E CA 1.413 56.986 56.400 -1.377 0.000 0.810 135 E CB -0.243 28.729 29.700 -1.214 0.000 0.742 135 E HN 0.484 nan 8.360 nan 0.000 0.466 136 D N -0.346 119.891 120.400 -0.273 0.000 2.378 136 D HA -0.113 4.998 4.640 0.784 0.000 0.227 136 D C 1.445 177.713 176.300 -0.052 0.000 1.012 136 D CA 1.331 55.253 54.000 -0.130 0.000 0.905 136 D CB -0.168 40.584 40.800 -0.081 0.000 0.895 136 D HN 0.236 nan 8.370 nan 0.000 0.532 137 T N -3.022 111.518 114.554 -0.023 0.000 3.107 137 T HA 0.058 4.879 4.350 0.784 0.000 0.249 137 T C 0.772 175.533 174.700 0.102 0.000 1.096 137 T CA -0.306 61.836 62.100 0.069 0.000 1.012 137 T CB -0.508 68.440 68.868 0.133 0.000 0.977 137 T HN -0.118 nan 8.240 nan 0.000 0.527 138 T N 5.632 120.227 114.554 0.068 0.000 2.888 138 T HA 0.300 5.121 4.350 0.784 0.000 0.301 138 T C -2.372 172.386 174.700 0.097 0.000 1.001 138 T CA -0.824 61.353 62.100 0.128 0.000 1.147 138 T CB 0.838 69.778 68.868 0.121 0.000 0.931 138 T HN 0.299 nan 8.240 nan 0.000 0.541 139 P HA 0.252 nan 4.420 nan 0.000 0.275 139 P C -0.430 176.910 177.300 0.067 0.000 1.228 139 P CA -0.592 62.559 63.100 0.086 0.000 0.786 139 P CB 0.644 32.403 31.700 0.098 0.000 0.927 140 D N 1.282 121.709 120.400 0.046 0.000 2.419 140 D HA 0.042 5.152 4.640 0.784 0.000 0.236 140 D C 0.570 176.893 176.300 0.038 0.000 1.165 140 D CA 0.418 54.440 54.000 0.036 0.000 0.882 140 D CB 0.031 40.846 40.800 0.025 0.000 1.201 140 D HN 0.339 nan 8.370 nan 0.000 0.443 141 N N -0.195 118.526 118.700 0.034 0.000 2.344 141 N HA 0.262 5.473 4.740 0.784 0.000 0.236 141 N C 1.049 176.577 175.510 0.031 0.000 1.279 141 N CA 0.433 53.501 53.050 0.030 0.000 0.882 141 N CB 0.465 38.968 38.487 0.027 0.000 1.110 141 N HN 0.572 nan 8.380 nan 0.000 0.436 142 G N 0.141 108.959 108.800 0.030 0.000 2.168 142 G HA2 -0.229 4.201 3.960 0.784 0.000 0.197 142 G HA3 -0.229 4.201 3.960 0.784 0.000 0.197 142 G C 0.692 175.635 174.900 0.072 0.000 0.997 142 G CA -0.345 44.782 45.100 0.046 0.000 0.658 142 G HN 0.580 nan 8.290 nan 0.000 0.513 143 R N -0.643 119.892 120.500 0.059 0.000 2.312 143 R HA 0.396 5.207 4.340 0.784 0.000 0.205 143 R C 0.967 177.374 176.300 0.178 0.000 0.904 143 R CA 0.061 56.219 56.100 0.097 0.000 1.052 143 R CB 0.236 30.561 30.300 0.042 0.000 1.014 143 R HN 0.387 nan 8.270 nan 0.000 0.503 144 L N 2.167 123.413 121.223 0.039 0.000 2.375 144 L HA 0.383 5.193 4.340 0.784 0.000 0.268 144 L C -2.020 174.769 176.870 -0.135 0.000 1.058 144 L CA -2.275 52.511 54.840 -0.090 0.000 0.803 144 L CB 0.850 42.650 42.059 -0.433 0.000 1.212 144 L HN -0.144 nan 8.230 nan 0.000 0.451 145 P HA 0.166 nan 4.420 nan 0.000 0.281 145 P C -1.414 175.835 177.300 -0.086 0.000 1.249 145 P CA -0.572 62.186 63.100 -0.569 0.000 0.810 145 P CB 0.875 31.931 31.700 -1.073 0.000 1.008 146 D N 0.672 121.091 120.400 0.031 0.000 2.339 146 D HA 0.268 5.379 4.640 0.784 0.000 0.245 146 D C 0.883 177.179 176.300 -0.006 0.000 1.115 146 D CA -0.268 53.719 54.000 -0.021 0.000 0.917 146 D CB 0.961 41.655 40.800 -0.176 0.000 1.192 146 D HN 0.358 nan 8.370 nan 0.000 0.428 147 A N 0.940 123.775 122.820 0.025 0.000 2.303 147 A HA -0.020 4.770 4.320 0.784 0.000 0.217 147 A C 0.941 178.512 177.584 -0.022 0.000 1.205 147 A CA -0.067 51.961 52.037 -0.016 0.000 0.875 147 A CB 0.112 19.014 19.000 -0.163 0.000 0.910 147 A HN 0.489 nan 8.150 nan 0.000 0.501 148 D N -0.309 120.102 120.400 0.019 0.000 2.325 148 D HA 0.068 5.179 4.640 0.784 0.000 0.225 148 D C 0.305 176.599 176.300 -0.010 0.000 1.096 148 D CA 0.189 54.224 54.000 0.058 0.000 0.844 148 D CB 0.202 41.058 40.800 0.093 0.000 0.925 148 D HN 0.088 nan 8.370 nan 0.000 0.513 149 K N 0.613 120.971 120.400 -0.070 0.000 2.393 149 K HA 0.327 5.117 4.320 0.784 0.000 0.241 149 K C 0.196 176.859 176.600 0.105 0.000 1.055 149 K CA -0.560 55.674 56.287 -0.088 0.000 0.951 149 K CB 0.989 33.186 32.500 -0.505 0.000 1.285 149 K HN 0.126 nan 8.250 nan 0.000 0.500 150 D N -1.591 118.915 120.400 0.177 0.000 2.569 150 D HA 0.337 5.448 4.640 0.784 0.000 0.266 150 D C 0.709 177.188 176.300 0.298 0.000 1.164 150 D CA -0.601 53.533 54.000 0.224 0.000 1.071 150 D CB 0.368 41.279 40.800 0.185 0.000 1.183 150 D HN 0.321 nan 8.370 nan 0.000 0.613 151 A N -0.340 122.645 122.820 0.274 0.000 1.933 151 A HA 0.067 4.858 4.320 0.784 0.000 0.218 151 A C 2.045 179.823 177.584 0.323 0.000 1.175 151 A CA 2.079 54.331 52.037 0.358 0.000 0.628 151 A CB -1.519 17.662 19.000 0.302 0.000 0.814 151 A HN 0.667 nan 8.150 nan 0.000 0.444 152 G N -1.741 107.197 108.800 0.229 0.000 2.408 152 G HA2 -0.248 4.182 3.960 0.784 0.000 0.217 152 G HA3 -0.248 4.182 3.960 0.784 0.000 0.217 152 G C 1.513 176.559 174.900 0.243 0.000 1.150 152 G CA 1.175 46.387 45.100 0.187 0.000 0.776 152 G HN 0.624 nan 8.290 nan 0.000 0.542 153 Y N 1.225 121.631 120.300 0.177 0.000 2.097 153 Y HA -0.188 4.824 4.550 0.770 0.000 0.282 153 Y C 2.811 178.873 175.900 0.270 0.000 1.152 153 Y CA 1.965 60.179 58.100 0.191 0.000 1.136 153 Y CB -0.312 38.239 38.460 0.152 0.000 0.975 153 Y HN 0.034 nan 8.280 nan 0.000 0.498 154 V N 1.178 121.289 119.914 0.329 0.000 2.332 154 V HA -0.333 4.257 4.120 0.784 0.000 0.248 154 V C 2.538 178.894 176.094 0.437 0.000 1.055 154 V CA 2.364 64.883 62.300 0.364 0.000 1.038 154 V CB -0.815 31.266 31.823 0.429 0.000 0.651 154 V HN 0.406 nan 8.190 nan 0.000 0.450 155 R N -0.217 120.521 120.500 0.397 0.000 2.073 155 R HA -0.167 4.644 4.340 0.784 0.000 0.234 155 R C 2.377 178.817 176.300 0.234 0.000 1.134 155 R CA 2.185 58.492 56.100 0.345 0.000 0.952 155 R CB -0.519 29.899 30.300 0.198 0.000 0.850 155 R HN 0.512 nan 8.270 nan 0.000 0.433 156 T N 0.742 115.381 114.554 0.142 0.000 2.821 156 T HA -0.140 4.681 4.350 0.784 0.000 0.267 156 T C 1.286 175.999 174.700 0.022 0.000 1.046 156 T CA 1.347 63.490 62.100 0.071 0.000 1.139 156 T CB -0.363 68.535 68.868 0.050 0.000 0.871 156 T HN 0.275 nan 8.240 nan 0.000 0.454 157 F N 1.327 121.157 119.950 -0.201 0.000 2.065 157 F HA -0.140 4.326 4.527 -0.101 0.000 0.298 157 F C 1.645 177.355 175.800 -0.150 0.000 1.112 157 F CA 1.394 59.209 58.000 -0.308 0.000 1.212 157 F CB -0.527 38.122 39.000 -0.586 0.000 0.975 157 F HN 0.109 nan 8.300 nan 0.000 0.476 158 F N 0.783 120.778 119.950 0.076 0.000 2.502 158 F HA -0.082 4.993 4.527 0.914 0.000 0.298 158 F C 2.358 178.147 175.800 -0.018 0.000 1.111 158 F CA 0.998 59.027 58.000 0.050 0.000 1.445 158 F CB -0.750 38.367 39.000 0.196 0.000 1.081 158 F HN 0.100 nan 8.300 nan 0.000 0.558 159 Q N -0.326 119.543 119.800 0.116 0.000 2.181 159 Q HA -0.219 4.591 4.340 0.784 0.000 0.205 159 Q C 2.291 178.264 176.000 -0.044 0.000 0.980 159 Q CA 1.118 56.954 55.803 0.054 0.000 0.862 159 Q CB -0.240 28.526 28.738 0.047 0.000 0.905 159 Q HN 0.346 nan 8.270 nan 0.000 0.429 160 R N 0.511 120.916 120.500 -0.158 0.000 2.189 160 R HA -0.060 4.750 4.340 0.784 0.000 0.223 160 R C 1.268 177.421 176.300 -0.245 0.000 1.092 160 R CA 0.739 56.694 56.100 -0.242 0.000 0.989 160 R CB 0.113 30.212 30.300 -0.333 0.000 0.876 160 R HN 0.262 nan 8.270 nan 0.000 0.457 161 L N 0.629 121.820 121.223 -0.053 0.000 2.653 161 L HA 0.096 4.906 4.340 0.784 0.000 0.231 161 L C 0.189 177.292 176.870 0.388 0.000 1.153 161 L CA -0.209 54.801 54.840 0.283 0.000 0.933 161 L CB -0.144 42.121 42.059 0.344 0.000 1.175 161 L HN 0.228 nan 8.230 nan 0.000 0.473 162 N N 1.025 119.851 118.700 0.209 0.000 2.735 162 N HA -0.193 5.018 4.740 0.784 0.000 0.248 162 N C -0.467 175.152 175.510 0.182 0.000 1.083 162 N CA 0.764 53.927 53.050 0.188 0.000 0.703 162 N CB -0.381 38.263 38.487 0.261 0.000 1.005 162 N HN 0.111 nan 8.380 nan 0.000 0.550 163 M N 0.554 120.279 119.600 0.207 0.000 2.336 163 M HA 0.337 5.288 4.480 0.784 0.000 0.342 163 M C 0.729 177.111 176.300 0.136 0.000 1.128 163 M CA -0.711 54.688 55.300 0.165 0.000 1.016 163 M CB 1.437 34.151 32.600 0.190 0.000 1.665 163 M HN 0.333 nan 8.290 nan 0.000 0.445 164 N N 1.006 119.762 118.700 0.092 0.000 2.538 164 N HA 0.247 5.457 4.740 0.784 0.000 0.292 164 N C 0.112 175.689 175.510 0.111 0.000 1.262 164 N CA -0.361 52.745 53.050 0.094 0.000 0.976 164 N CB 0.408 38.938 38.487 0.071 0.000 1.161 164 N HN 0.359 nan 8.380 nan 0.000 0.598 165 D N -0.415 120.067 120.400 0.136 0.000 2.104 165 D HA -0.097 5.013 4.640 0.784 0.000 0.194 165 D C 1.720 178.134 176.300 0.189 0.000 0.994 165 D CA 1.415 55.560 54.000 0.242 0.000 0.830 165 D CB -0.078 40.825 40.800 0.173 0.000 0.959 165 D HN 0.493 nan 8.370 nan 0.000 0.452 166 R N 0.471 121.046 120.500 0.124 0.000 2.092 166 R HA -0.057 4.754 4.340 0.784 0.000 0.231 166 R C 2.208 178.600 176.300 0.154 0.000 1.119 166 R CA 0.902 57.083 56.100 0.134 0.000 0.970 166 R CB -0.133 30.232 30.300 0.108 0.000 0.864 166 R HN 0.337 nan 8.270 nan 0.000 0.440 167 E N 0.176 120.423 120.200 0.079 0.000 2.106 167 E HA -0.137 4.684 4.350 0.784 0.000 0.192 167 E C 2.042 178.582 176.600 -0.099 0.000 0.984 167 E CA 1.160 57.569 56.400 0.015 0.000 0.806 167 E CB 0.047 29.747 29.700 0.000 0.000 0.750 167 E HN 0.072 nan 8.360 nan 0.000 0.458 168 V N 0.786 120.592 119.914 -0.181 0.000 2.295 168 V HA -0.226 4.364 4.120 0.784 0.000 0.246 168 V C 2.291 178.210 176.094 -0.292 0.000 1.049 168 V CA 1.347 63.359 62.300 -0.480 0.000 1.024 168 V CB -0.285 31.273 31.823 -0.441 0.000 0.648 168 V HN 0.141 nan 8.190 nan 0.000 0.447 169 V N 0.209 120.078 119.914 -0.074 0.000 2.427 169 V HA -0.223 4.368 4.120 0.784 0.000 0.248 169 V C 2.667 178.968 176.094 0.345 0.000 1.051 169 V CA 1.832 64.189 62.300 0.095 0.000 1.048 169 V CB -1.092 30.830 31.823 0.164 0.000 0.666 169 V HN 0.552 nan 8.190 nan 0.000 0.456 170 A N -0.006 123.042 122.820 0.381 0.000 1.858 170 A HA -0.179 4.612 4.320 0.784 0.000 0.216 170 A C 2.217 180.047 177.584 0.410 0.000 1.190 170 A CA 1.887 54.158 52.037 0.391 0.000 0.617 170 A CB -0.613 18.521 19.000 0.224 0.000 0.827 170 A HN 0.484 nan 8.150 nan 0.000 0.443 171 L N -1.889 119.393 121.223 0.098 0.000 2.079 171 L HA -0.204 4.607 4.340 0.784 0.000 0.210 171 L C 2.710 179.525 176.870 -0.091 0.000 1.081 171 L CA 1.669 56.513 54.840 0.007 0.000 0.752 171 L CB -0.375 41.529 42.059 -0.258 0.000 0.896 171 L HN 0.400 nan 8.230 nan 0.000 0.433 172 M N -0.035 119.401 119.600 -0.273 0.000 2.460 172 M HA -0.056 4.895 4.480 0.784 0.000 0.263 172 M C 1.905 177.613 176.300 -0.987 0.000 1.071 172 M CA 1.113 56.030 55.300 -0.638 0.000 1.096 172 M CB -0.540 31.758 32.600 -0.504 0.000 1.408 172 M HN 0.167 nan 8.290 nan 0.000 0.463 173 G N -0.898 107.604 108.800 -0.497 0.000 2.498 173 G HA2 -0.102 4.329 3.960 0.784 0.000 0.219 173 G HA3 -0.102 4.329 3.960 0.784 0.000 0.219 173 G C 1.492 176.004 174.900 -0.647 0.000 1.119 173 G CA 0.727 45.394 45.100 -0.722 0.000 0.766 173 G HN 0.601 nan 8.290 nan 0.000 0.552 174 A N 0.016 122.569 122.820 -0.445 0.000 2.125 174 A HA -0.043 4.748 4.320 0.784 0.000 0.219 174 A C 1.777 179.184 177.584 -0.296 0.000 1.156 174 A CA 1.020 52.838 52.037 -0.366 0.000 0.671 174 A CB -0.677 18.267 19.000 -0.094 0.000 0.794 174 A HN 0.628 nan 8.150 nan 0.000 0.459 175 H N -1.080 117.617 119.070 -0.621 0.000 2.563 175 H HA 0.166 5.190 4.556 0.780 0.000 0.272 175 H C 2.110 177.269 175.328 -0.283 0.000 1.005 175 H CA 0.070 55.839 56.048 -0.465 0.000 1.171 175 H CB 0.180 29.584 29.762 -0.596 0.000 1.351 175 H HN 0.598 nan 8.280 nan 0.000 0.602 176 A N 0.830 123.509 122.820 -0.236 0.000 2.121 176 A HA -0.008 4.783 4.320 0.784 0.000 0.218 176 A C 0.976 178.465 177.584 -0.160 0.000 1.154 176 A CA 0.420 52.352 52.037 -0.175 0.000 0.679 176 A CB -0.150 18.685 19.000 -0.275 0.000 0.795 176 A HN 0.206 nan 8.150 nan 0.000 0.458 177 L N -1.170 119.963 121.223 -0.150 0.000 2.357 177 L HA 0.553 5.363 4.340 0.784 0.000 0.273 177 L C 1.411 178.253 176.870 -0.047 0.000 1.080 177 L CA 0.099 54.888 54.840 -0.086 0.000 0.803 177 L CB 0.773 42.800 42.059 -0.054 0.000 1.174 177 L HN 0.550 nan 8.230 nan 0.000 0.443 178 G N 2.561 111.345 108.800 -0.027 0.000 2.566 178 G HA2 -0.274 4.156 3.960 0.784 0.000 0.280 178 G HA3 -0.274 4.156 3.960 0.784 0.000 0.280 178 G C -0.532 174.322 174.900 -0.075 0.000 1.225 178 G CA 0.535 45.625 45.100 -0.017 0.000 0.966 178 G HN 0.975 nan 8.290 nan 0.000 0.560 179 K N -1.735 118.586 120.400 -0.131 0.000 2.607 179 K HA 0.641 5.432 4.320 0.784 0.000 0.287 179 K C -0.424 175.969 176.600 -0.345 0.000 0.996 179 K CA -0.236 55.902 56.287 -0.247 0.000 0.876 179 K CB 1.055 33.367 32.500 -0.313 0.000 1.496 179 K HN 1.284 nan 8.250 nan 0.000 0.415 180 T N -0.529 113.872 114.554 -0.255 0.000 2.897 180 T HA 0.352 5.173 4.350 0.784 0.000 0.294 180 T C -0.643 173.896 174.700 -0.267 0.000 1.004 180 T CA -0.354 61.656 62.100 -0.150 0.000 1.106 180 T CB 0.195 69.069 68.868 0.010 0.000 0.949 180 T HN 0.590 nan 8.240 nan 0.000 0.520 181 H N 2.018 121.113 119.070 0.042 0.000 2.539 181 H HA 0.411 5.436 4.556 0.782 0.000 0.332 181 H C 0.685 176.030 175.328 0.028 0.000 1.031 181 H CA -0.964 55.097 56.048 0.022 0.000 1.206 181 H CB 1.515 31.277 29.762 0.001 0.000 1.446 181 H HN 0.451 nan 8.280 nan 0.000 0.496 182 L N 3.033 124.319 121.223 0.105 0.000 2.081 182 L HA -0.216 4.595 4.340 0.784 0.000 0.212 182 L C 2.329 179.222 176.870 0.037 0.000 1.080 182 L CA 2.414 57.280 54.840 0.044 0.000 0.754 182 L CB -0.574 41.492 42.059 0.011 0.000 0.893 182 L HN 0.796 nan 8.230 nan 0.000 0.433 183 K N -1.320 119.112 120.400 0.054 0.000 2.288 183 K HA -0.054 4.736 4.320 0.784 0.000 0.201 183 K C 1.783 178.402 176.600 0.032 0.000 1.048 183 K CA 1.431 57.736 56.287 0.029 0.000 0.956 183 K CB -0.863 31.649 32.500 0.021 0.000 0.746 183 K HN 0.514 nan 8.250 nan 0.000 0.461 184 N N 0.093 118.832 118.700 0.064 0.000 2.220 184 N HA -0.072 5.139 4.740 0.784 0.000 0.182 184 N C 1.762 177.320 175.510 0.080 0.000 1.023 184 N CA 2.076 55.162 53.050 0.060 0.000 0.856 184 N CB 0.484 39.016 38.487 0.075 0.000 0.997 184 N HN 0.578 nan 8.380 nan 0.000 0.429 185 S N -2.541 113.224 115.700 0.109 0.000 2.687 185 S HA 0.370 5.311 4.470 0.784 0.000 0.247 185 S C 1.168 175.800 174.600 0.053 0.000 1.050 185 S CA 0.392 58.681 58.200 0.147 0.000 1.063 185 S CB 0.955 64.315 63.200 0.265 0.000 1.039 185 S HN 0.342 nan 8.310 nan 0.000 0.580 186 G N 0.537 109.305 108.800 -0.054 0.000 2.143 186 G HA2 -0.235 4.195 3.960 0.784 0.000 0.248 186 G HA3 -0.235 4.195 3.960 0.784 0.000 0.248 186 G C -0.323 174.246 174.900 -0.553 0.000 0.991 186 G CA 0.446 45.383 45.100 -0.272 0.000 0.689 186 G HN 0.574 nan 8.290 nan 0.000 0.522 187 Y N -0.821 119.488 120.300 0.016 0.000 2.545 187 Y HA 0.715 5.733 4.550 0.781 0.000 0.348 187 Y C 0.043 175.940 175.900 -0.005 0.000 1.002 187 Y CA -1.338 56.765 58.100 0.004 0.000 1.039 187 Y CB 2.256 40.719 38.460 0.006 0.000 1.271 187 Y HN 0.141 nan 8.280 nan 0.000 0.467 188 E N 0.889 121.174 120.200 0.142 0.000 2.263 188 E HA 0.703 5.524 4.350 0.784 0.000 0.268 188 E C -0.525 176.101 176.600 0.044 0.000 0.884 188 E CA -0.221 56.211 56.400 0.053 0.000 0.766 188 E CB 1.758 31.476 29.700 0.030 0.000 1.196 188 E HN 0.924 nan 8.360 nan 0.000 0.416 189 G N 3.638 112.429 108.800 -0.015 0.000 2.357 189 G HA2 0.088 4.518 3.960 0.784 0.000 0.643 189 G HA3 0.088 4.518 3.960 0.784 0.000 0.643 189 G C -3.043 171.849 174.900 -0.013 0.000 1.358 189 G CA -0.484 44.620 45.100 0.005 0.000 0.986 189 G HN 0.499 nan 8.290 nan 0.000 0.620 190 P HA 0.455 nan 4.420 nan 0.000 0.283 190 P C 0.742 178.083 177.300 0.067 0.000 1.271 190 P CA 0.364 63.471 63.100 0.012 0.000 0.841 190 P CB 1.650 33.369 31.700 0.032 0.000 1.122 191 G N -0.980 107.813 108.800 -0.010 0.000 3.088 191 G HA2 0.473 4.904 3.960 0.784 0.000 0.217 191 G HA3 0.473 4.904 3.960 0.784 0.000 0.217 191 G C 0.516 175.267 174.900 -0.247 0.000 1.159 191 G CA 0.206 45.314 45.100 0.013 0.000 0.760 191 G HN 0.854 nan 8.290 nan 0.000 0.550 192 G N -1.998 106.489 108.800 -0.521 0.000 2.341 192 G HA2 0.510 4.940 3.960 0.784 0.000 0.299 192 G HA3 0.510 4.940 3.960 0.784 0.000 0.299 192 G C 0.385 174.911 174.900 -0.623 0.000 1.274 192 G CA 0.151 44.574 45.100 -1.128 0.000 0.853 192 G HN 0.519 nan 8.290 nan 0.000 0.493 193 A N -1.014 121.570 122.820 -0.392 0.000 1.984 193 A HA 0.635 5.425 4.320 0.784 0.000 0.214 193 A C 1.643 179.206 177.584 -0.035 0.000 1.173 193 A CA 1.966 53.982 52.037 -0.036 0.000 0.673 193 A CB -0.205 18.840 19.000 0.075 0.000 0.830 193 A HN 1.998 nan 8.150 nan 0.000 0.453 194 A N 1.499 124.276 122.820 -0.072 0.000 3.079 194 A HA 0.417 5.208 4.320 0.784 0.000 0.315 194 A C 0.339 177.897 177.584 -0.045 0.000 1.334 194 A CA -0.330 51.687 52.037 -0.033 0.000 1.048 194 A CB -0.568 18.422 19.000 -0.016 0.000 1.156 194 A HN 0.487 nan 8.150 nan 0.000 0.523 195 N N 0.525 119.203 118.700 -0.036 0.000 2.268 195 N HA -0.046 5.165 4.740 0.784 0.000 0.204 195 N C -0.064 175.437 175.510 -0.015 0.000 1.124 195 N CA 0.129 53.151 53.050 -0.047 0.000 0.838 195 N CB 0.001 38.455 38.487 -0.055 0.000 0.994 195 N HN 0.521 nan 8.380 nan 0.000 0.489 196 N N -0.636 118.069 118.700 0.010 0.000 2.299 196 N HA 0.122 5.333 4.740 0.784 0.000 0.246 196 N C -1.211 174.328 175.510 0.048 0.000 1.254 196 N CA -0.536 52.533 53.050 0.031 0.000 0.879 196 N CB 0.369 38.884 38.487 0.046 0.000 1.214 196 N HN -0.095 nan 8.380 nan 0.000 0.510 197 V N 1.120 121.060 119.914 0.043 0.000 2.487 197 V HA 0.409 4.999 4.120 0.784 0.000 0.298 197 V C -0.881 175.268 176.094 0.092 0.000 1.028 197 V CA -0.995 61.354 62.300 0.082 0.000 0.860 197 V CB 1.571 33.440 31.823 0.076 0.000 0.991 197 V HN 0.182 nan 8.190 nan 0.000 0.427 198 F N 5.409 125.357 119.950 -0.003 0.000 2.466 198 F HA 0.527 5.523 4.527 0.781 0.000 0.363 198 F C 0.778 176.670 175.800 0.154 0.000 1.109 198 F CA 0.465 58.443 58.000 -0.036 0.000 1.161 198 F CB 0.540 39.415 39.000 -0.208 0.000 1.117 198 F HN 0.732 nan 8.300 nan 0.000 0.539 199 T N 1.261 115.812 114.554 -0.004 0.000 2.716 199 T HA 0.251 5.072 4.350 0.784 0.000 0.286 199 T C 0.160 174.950 174.700 0.150 0.000 1.052 199 T CA -0.845 61.395 62.100 0.234 0.000 1.024 199 T CB 1.285 70.217 68.868 0.108 0.000 1.349 199 T HN 0.456 nan 8.240 nan 0.000 0.525 200 N N -0.462 118.348 118.700 0.183 0.000 2.322 200 N HA 0.045 5.255 4.740 0.784 0.000 0.216 200 N C 0.829 176.327 175.510 -0.020 0.000 1.144 200 N CA -0.132 52.918 53.050 -0.000 0.000 0.830 200 N CB -0.015 38.532 38.487 0.100 0.000 1.034 200 N HN 0.845 nan 8.380 nan 0.000 0.484 201 E N -0.033 120.126 120.200 -0.069 0.000 2.204 201 E HA -0.202 4.619 4.350 0.784 0.000 0.195 201 E C 0.986 177.517 176.600 -0.115 0.000 0.990 201 E CA 0.588 56.941 56.400 -0.077 0.000 0.821 201 E CB -0.178 29.459 29.700 -0.105 0.000 0.750 201 E HN 0.406 nan 8.360 nan 0.000 0.477 202 F N 0.345 120.050 119.950 -0.407 0.000 2.126 202 F HA -0.267 4.733 4.527 0.787 0.000 0.299 202 F C 1.408 176.952 175.800 -0.426 0.000 1.096 202 F CA 1.672 59.376 58.000 -0.493 0.000 1.255 202 F CB -0.335 38.204 39.000 -0.770 0.000 0.997 202 F HN 0.075 nan 8.300 nan 0.000 0.479 203 Y N -0.049 120.170 120.300 -0.136 0.000 2.243 203 Y HA -0.076 4.943 4.550 0.783 0.000 0.293 203 Y C 2.332 178.147 175.900 -0.141 0.000 1.124 203 Y CA 1.192 59.183 58.100 -0.183 0.000 1.159 203 Y CB -1.010 37.397 38.460 -0.088 0.000 1.008 203 Y HN 0.007 nan 8.280 nan 0.000 0.527 204 L N -0.011 121.245 121.223 0.055 0.000 2.042 204 L HA -0.267 4.544 4.340 0.784 0.000 0.210 204 L C 1.988 178.874 176.870 0.027 0.000 1.076 204 L CA 1.396 56.256 54.840 0.032 0.000 0.749 204 L CB -0.552 41.523 42.059 0.027 0.000 0.893 204 L HN 0.255 nan 8.230 nan 0.000 0.432 205 N N -0.026 118.679 118.700 0.009 0.000 2.142 205 N HA -0.115 5.096 4.740 0.784 0.000 0.186 205 N C 1.964 177.661 175.510 0.312 0.000 1.023 205 N CA 1.053 54.185 53.050 0.137 0.000 0.852 205 N CB -0.353 38.219 38.487 0.142 0.000 0.998 205 N HN 0.252 nan 8.380 nan 0.000 0.424 206 L N 0.531 121.780 121.223 0.044 0.000 2.042 206 L HA -0.141 4.669 4.340 0.784 0.000 0.210 206 L C 2.030 178.994 176.870 0.155 0.000 1.076 206 L CA 1.048 55.881 54.840 -0.011 0.000 0.749 206 L CB -0.296 41.510 42.059 -0.422 0.000 0.893 206 L HN 0.153 nan 8.230 nan 0.000 0.432 207 L N -1.281 119.979 121.223 0.061 0.000 2.209 207 L HA -0.099 4.712 4.340 0.784 0.000 0.207 207 L C 1.608 178.518 176.870 0.065 0.000 1.094 207 L CA 1.204 56.070 54.840 0.042 0.000 0.790 207 L CB -0.266 41.798 42.059 0.009 0.000 0.932 207 L HN 0.348 nan 8.230 nan 0.000 0.447 208 N N -1.828 116.911 118.700 0.066 0.000 2.294 208 N HA 0.034 5.244 4.740 0.784 0.000 0.186 208 N C 0.154 175.623 175.510 -0.067 0.000 1.107 208 N CA -0.263 52.791 53.050 0.006 0.000 0.884 208 N CB 0.775 39.265 38.487 0.005 0.000 1.030 208 N HN 0.120 nan 8.380 nan 0.000 0.482 209 E N 1.077 121.191 120.200 -0.144 0.000 2.374 209 E HA 0.113 4.933 4.350 0.784 0.000 0.260 209 E C -0.467 175.804 176.600 -0.548 0.000 1.101 209 E CA 0.109 56.212 56.400 -0.494 0.000 0.907 209 E CB 0.379 29.450 29.700 -1.049 0.000 1.014 209 E HN 0.302 nan 8.360 nan 0.000 0.427 210 D N 2.277 122.382 120.400 -0.491 0.000 2.411 210 D HA 0.288 5.398 4.640 0.784 0.000 0.225 210 D C -0.771 175.369 176.300 -0.265 0.000 1.156 210 D CA -0.490 53.352 54.000 -0.264 0.000 0.874 210 D CB -0.202 40.509 40.800 -0.148 0.000 1.034 210 D HN 0.253 nan 8.370 nan 0.000 0.502 211 W N 1.470 122.859 121.300 0.148 0.000 2.365 211 W HA 0.463 5.598 4.660 0.791 0.000 0.316 211 W C 0.439 177.142 176.519 0.307 0.000 1.164 211 W CA -0.868 56.619 57.345 0.238 0.000 1.204 211 W CB 1.784 31.417 29.460 0.289 0.000 1.213 211 W HN 0.227 nan 8.180 nan 0.000 0.539 212 K N 3.309 124.011 120.400 0.503 0.000 2.345 212 K HA 0.429 5.219 4.320 0.784 0.000 0.255 212 K C -1.159 175.452 176.600 0.017 0.000 0.934 212 K CA -1.174 55.270 56.287 0.262 0.000 0.801 212 K CB 1.903 34.468 32.500 0.109 0.000 1.137 212 K HN 0.424 nan 8.250 nan 0.000 0.424 213 L N 3.000 123.972 121.223 -0.418 0.000 2.342 213 L HA 0.305 5.116 4.340 0.784 0.000 0.285 213 L C -0.045 176.557 176.870 -0.447 0.000 1.095 213 L CA 0.845 55.112 54.840 -0.956 0.000 0.843 213 L CB -0.459 40.763 42.059 -1.395 0.000 1.201 213 L HN 0.717 nan 8.230 nan 0.000 0.445 214 E N 3.929 123.933 120.200 -0.327 0.000 2.339 214 E HA 0.470 5.290 4.350 0.784 0.000 0.262 214 E C -0.972 175.535 176.600 -0.156 0.000 0.934 214 E CA -1.173 55.122 56.400 -0.176 0.000 0.802 214 E CB 1.898 31.545 29.700 -0.088 0.000 1.275 214 E HN 0.408 nan 8.360 nan 0.000 0.427 215 K N 1.407 121.744 120.400 -0.105 0.000 2.138 215 K HA 0.219 5.009 4.320 0.784 0.000 0.263 215 K C -0.296 176.268 176.600 -0.060 0.000 0.965 215 K CA -0.573 55.664 56.287 -0.085 0.000 0.868 215 K CB 0.882 33.334 32.500 -0.079 0.000 1.083 215 K HN 0.444 nan 8.250 nan 0.000 0.443 216 N N 0.251 118.917 118.700 -0.057 0.000 2.476 216 N HA 0.082 5.292 4.740 0.784 0.000 0.287 216 N C 0.010 175.487 175.510 -0.056 0.000 1.262 216 N CA -0.371 52.652 53.050 -0.045 0.000 0.980 216 N CB 0.347 38.813 38.487 -0.035 0.000 1.163 216 N HN 0.313 nan 8.380 nan 0.000 0.592 217 D N -1.469 118.903 120.400 -0.047 0.000 2.371 217 D HA 0.071 5.181 4.640 0.784 0.000 0.221 217 D C 0.606 176.871 176.300 -0.058 0.000 0.986 217 D CA 0.639 54.612 54.000 -0.044 0.000 0.899 217 D CB -0.292 40.490 40.800 -0.030 0.000 0.902 217 D HN 0.658 nan 8.370 nan 0.000 0.530 218 A N 0.301 123.070 122.820 -0.085 0.000 2.423 218 A HA 0.146 4.936 4.320 0.784 0.000 0.246 218 A C 0.887 178.404 177.584 -0.111 0.000 1.278 218 A CA -0.089 51.886 52.037 -0.103 0.000 0.903 218 A CB -0.209 18.706 19.000 -0.141 0.000 0.997 218 A HN 0.093 nan 8.150 nan 0.000 0.510 219 N N -0.091 118.552 118.700 -0.095 0.000 2.782 219 N HA -0.136 5.074 4.740 0.784 0.000 0.251 219 N C -1.093 174.355 175.510 -0.103 0.000 1.101 219 N CA 0.960 53.959 53.050 -0.085 0.000 0.764 219 N CB -1.653 36.793 38.487 -0.068 0.000 1.122 219 N HN 0.564 nan 8.380 nan 0.000 0.561 220 N N 0.960 119.574 118.700 -0.143 0.000 2.405 220 N HA 0.213 5.424 4.740 0.784 0.000 0.299 220 N C -0.518 174.945 175.510 -0.079 0.000 1.075 220 N CA -0.331 52.629 53.050 -0.150 0.000 0.884 220 N CB 0.907 39.177 38.487 -0.361 0.000 1.194 220 N HN 0.240 nan 8.380 nan 0.000 0.491 221 E N 1.085 121.264 120.200 -0.036 0.000 2.338 221 E HA 0.100 4.920 4.350 0.784 0.000 0.272 221 E C -0.117 176.496 176.600 0.021 0.000 1.029 221 E CA -0.085 56.271 56.400 -0.073 0.000 0.872 221 E CB 0.776 30.388 29.700 -0.146 0.000 1.015 221 E HN 0.502 nan 8.360 nan 0.000 0.417 222 Q N 1.565 121.317 119.800 -0.081 0.000 2.534 222 Q HA 0.386 5.197 4.340 0.784 0.000 0.290 222 Q C -1.529 174.360 176.000 -0.185 0.000 0.991 222 Q CA -1.036 54.753 55.803 -0.024 0.000 0.783 222 Q CB 0.928 29.773 28.738 0.178 0.000 1.470 222 Q HN 0.406 nan 8.270 nan 0.000 0.406 223 W N 1.394 122.656 121.300 -0.063 0.000 2.361 223 W HA 0.443 5.571 4.660 0.780 0.000 0.309 223 W C -0.736 175.915 176.519 0.220 0.000 1.122 223 W CA 0.184 57.499 57.345 -0.051 0.000 1.208 223 W CB 1.269 30.512 29.460 -0.361 0.000 1.246 223 W HN 0.452 nan 8.180 nan 0.000 0.490 224 D N 1.503 122.206 120.400 0.505 0.000 2.481 224 D HA 0.374 5.485 4.640 0.784 0.000 0.244 224 D C -0.397 176.118 176.300 0.358 0.000 1.057 224 D CA -0.442 53.812 54.000 0.423 0.000 0.848 224 D CB 2.016 42.921 40.800 0.176 0.000 1.388 224 D HN 0.232 nan 8.370 nan 0.000 0.475 225 S N -0.851 114.908 115.700 0.099 0.000 2.621 225 S HA 0.331 5.272 4.470 0.784 0.000 0.302 225 S C 0.947 175.406 174.600 -0.235 0.000 1.093 225 S CA -0.632 57.396 58.200 -0.288 0.000 1.017 225 S CB 2.164 64.863 63.200 -0.835 0.000 1.077 225 S HN 0.244 nan 8.310 nan 0.000 0.517 226 K N 0.576 120.826 120.400 -0.250 0.000 2.442 226 K HA 0.071 4.862 4.320 0.784 0.000 0.198 226 K C 1.525 177.962 176.600 -0.272 0.000 1.042 226 K CA 1.339 57.506 56.287 -0.201 0.000 0.958 226 K CB -1.511 30.896 32.500 -0.156 0.000 0.766 226 K HN 0.575 nan 8.250 nan 0.000 0.474 227 S N 0.051 115.486 115.700 -0.442 0.000 2.555 227 S HA 0.242 5.183 4.470 0.784 0.000 0.230 227 S C 1.436 175.646 174.600 -0.649 0.000 0.978 227 S CA 0.696 58.522 58.200 -0.623 0.000 0.934 227 S CB -0.282 62.296 63.200 -1.037 0.000 0.766 227 S HN 1.053 nan 8.310 nan 0.000 0.533 228 G N 0.451 108.997 108.800 -0.424 0.000 2.131 228 G HA2 -0.221 4.210 3.960 0.784 0.000 0.223 228 G HA3 -0.221 4.210 3.960 0.784 0.000 0.223 228 G C -0.236 174.668 174.900 0.007 0.000 0.990 228 G CA -0.225 44.769 45.100 -0.178 0.000 0.671 228 G HN 0.406 nan 8.290 nan 0.000 0.521 229 Y N -0.419 119.911 120.300 0.049 0.000 2.432 229 Y HA 0.837 5.858 4.550 0.785 0.000 0.322 229 Y C 0.602 176.704 175.900 0.338 0.000 1.246 229 Y CA -1.411 56.788 58.100 0.163 0.000 1.268 229 Y CB 1.054 39.634 38.460 0.199 0.000 1.276 229 Y HN 0.426 nan 8.280 nan 0.000 0.499 230 M N 0.919 120.832 119.600 0.521 0.000 2.593 230 M HA 0.782 5.733 4.480 0.784 0.000 0.290 230 M C -1.646 174.759 176.300 0.175 0.000 1.244 230 M CA -0.872 54.672 55.300 0.405 0.000 0.857 230 M CB 2.362 35.097 32.600 0.225 0.000 1.738 230 M HN 0.291 nan 8.290 nan 0.000 0.461 231 M N 2.766 122.356 119.600 -0.016 0.000 2.395 231 M HA 0.550 5.501 4.480 0.784 0.000 0.307 231 M C -1.086 175.215 176.300 0.002 0.000 1.091 231 M CA -0.555 54.660 55.300 -0.142 0.000 0.919 231 M CB 1.943 34.234 32.600 -0.514 0.000 1.662 231 M HN 0.902 nan 8.290 nan 0.000 0.440 232 L N 3.723 124.916 121.223 -0.050 0.000 2.482 232 L HA 0.060 4.871 4.340 0.784 0.000 0.273 232 L C -1.212 175.703 176.870 0.074 0.000 1.228 232 L CA -1.178 53.585 54.840 -0.128 0.000 0.827 232 L CB -0.055 41.866 42.059 -0.230 0.000 1.099 232 L HN 0.456 nan 8.230 nan 0.000 0.494 233 P HA -0.175 nan 4.420 nan 0.000 0.216 233 P C 1.431 178.846 177.300 0.192 0.000 1.150 233 P CA 1.599 64.848 63.100 0.248 0.000 0.843 233 P CB -0.020 31.786 31.700 0.176 0.000 0.787 234 T N -4.093 110.534 114.554 0.122 0.000 2.951 234 T HA -0.102 4.719 4.350 0.784 0.000 0.268 234 T C 1.420 176.203 174.700 0.139 0.000 1.073 234 T CA 1.087 63.280 62.100 0.156 0.000 1.134 234 T CB -0.902 68.071 68.868 0.176 0.000 0.884 234 T HN 0.026 nan 8.240 nan 0.000 0.479 235 D N 0.589 121.071 120.400 0.137 0.000 2.084 235 D HA -0.069 5.041 4.640 0.784 0.000 0.196 235 D C 1.696 177.977 176.300 -0.031 0.000 0.985 235 D CA 1.133 55.229 54.000 0.160 0.000 0.826 235 D CB -0.590 40.337 40.800 0.212 0.000 0.978 235 D HN 0.449 nan 8.370 nan 0.000 0.456 236 Y N 1.817 121.968 120.300 -0.248 0.000 2.333 236 Y HA -0.230 4.788 4.550 0.781 0.000 0.290 236 Y C 2.430 178.159 175.900 -0.285 0.000 1.144 236 Y CA 1.560 59.365 58.100 -0.491 0.000 1.228 236 Y CB -0.177 37.751 38.460 -0.887 0.000 0.985 236 Y HN -0.035 nan 8.280 nan 0.000 0.542 237 S N -0.347 115.358 115.700 0.007 0.000 2.440 237 S HA -0.202 4.739 4.470 0.784 0.000 0.238 237 S C 1.791 176.413 174.600 0.037 0.000 1.010 237 S CA 1.435 59.674 58.200 0.064 0.000 0.972 237 S CB -0.955 62.355 63.200 0.184 0.000 0.774 237 S HN 0.560 nan 8.310 nan 0.000 0.501 238 L N 1.011 122.199 121.223 -0.057 0.000 2.465 238 L HA 0.156 4.966 4.340 0.784 0.000 0.224 238 L C 2.165 178.997 176.870 -0.063 0.000 1.145 238 L CA 1.006 55.824 54.840 -0.037 0.000 0.834 238 L CB -0.649 41.345 42.059 -0.108 0.000 0.944 238 L HN 0.560 nan 8.230 nan 0.000 0.451 239 I N -5.106 115.305 120.570 -0.265 0.000 4.018 239 I HA 0.053 4.694 4.170 0.784 0.000 0.337 239 I C 1.783 177.740 176.117 -0.267 0.000 1.327 239 I CA 0.142 61.263 61.300 -0.298 0.000 1.100 239 I CB 0.092 37.815 38.000 -0.463 0.000 1.025 239 I HN 0.111 nan 8.210 nan 0.000 0.396 240 Q N 1.217 120.895 119.800 -0.203 0.000 2.250 240 Q HA 0.087 4.897 4.340 0.784 0.000 0.200 240 Q C 0.475 176.468 176.000 -0.012 0.000 0.941 240 Q CA 0.486 56.235 55.803 -0.090 0.000 0.872 240 Q CB 0.383 29.113 28.738 -0.013 0.000 0.965 240 Q HN 0.523 nan 8.270 nan 0.000 0.480 241 D N 0.928 121.348 120.400 0.033 0.000 2.249 241 D HA 0.050 5.161 4.640 0.784 0.000 0.246 241 D C -1.832 174.461 176.300 -0.011 0.000 1.114 241 D CA -2.070 51.938 54.000 0.014 0.000 0.854 241 D CB 1.767 42.577 40.800 0.017 0.000 1.132 241 D HN -0.081 nan 8.370 nan 0.000 0.461 242 P HA -0.087 nan 4.420 nan 0.000 0.221 242 P C 0.907 178.183 177.300 -0.041 0.000 1.150 242 P CA 0.905 63.984 63.100 -0.036 0.000 0.800 242 P CB 0.554 32.233 31.700 -0.036 0.000 0.787 243 K N -1.200 119.149 120.400 -0.084 0.000 2.062 243 K HA -0.100 4.690 4.320 0.784 0.000 0.205 243 K C 2.323 178.923 176.600 -0.000 0.000 1.051 243 K CA 1.167 57.402 56.287 -0.088 0.000 0.941 243 K CB -0.514 31.883 32.500 -0.172 0.000 0.719 243 K HN 0.079 nan 8.250 nan 0.000 0.440 244 Y N 1.155 121.441 120.300 -0.023 0.000 2.224 244 Y HA -0.167 4.851 4.550 0.781 0.000 0.289 244 Y C 2.167 178.037 175.900 -0.050 0.000 1.146 244 Y CA 0.376 58.463 58.100 -0.022 0.000 1.182 244 Y CB -0.701 37.759 38.460 0.000 0.000 0.983 244 Y HN 0.004 nan 8.280 nan 0.000 0.524 245 L N -0.582 120.698 121.223 0.094 0.000 2.046 245 L HA -0.181 4.629 4.340 0.784 0.000 0.208 245 L C 2.247 179.100 176.870 -0.029 0.000 1.077 245 L CA 1.831 56.673 54.840 0.004 0.000 0.747 245 L CB -0.947 41.094 42.059 -0.031 0.000 0.896 245 L HN -0.001 nan 8.230 nan 0.000 0.432 246 S N -0.257 115.423 115.700 -0.033 0.000 2.383 246 S HA -0.134 4.806 4.470 0.784 0.000 0.229 246 S C 1.912 176.438 174.600 -0.124 0.000 1.030 246 S CA 1.882 60.042 58.200 -0.067 0.000 1.002 246 S CB -0.470 62.695 63.200 -0.059 0.000 0.829 246 S HN 0.527 nan 8.310 nan 0.000 0.467 247 I N 0.791 121.283 120.570 -0.129 0.000 2.406 247 I HA -0.078 4.563 4.170 0.784 0.000 0.249 247 I C 2.110 177.987 176.117 -0.399 0.000 1.122 247 I CA 0.505 61.622 61.300 -0.306 0.000 1.431 247 I CB -0.439 37.433 38.000 -0.213 0.000 1.087 247 I HN 0.106 nan 8.210 nan 0.000 0.424 248 V N 1.307 121.132 119.914 -0.148 0.000 2.282 248 V HA -0.331 4.260 4.120 0.784 0.000 0.249 248 V C 2.474 178.494 176.094 -0.124 0.000 1.057 248 V CA 1.989 64.256 62.300 -0.054 0.000 1.032 248 V CB -0.722 31.138 31.823 0.061 0.000 0.645 248 V HN 0.403 nan 8.190 nan 0.000 0.447 249 K N -0.354 119.978 120.400 -0.112 0.000 2.097 249 K HA -0.239 4.551 4.320 0.784 0.000 0.206 249 K C 2.231 178.756 176.600 -0.125 0.000 1.049 249 K CA 1.712 57.945 56.287 -0.091 0.000 0.933 249 K CB -0.197 32.259 32.500 -0.072 0.000 0.717 249 K HN 0.591 nan 8.250 nan 0.000 0.442 250 E N 0.153 120.224 120.200 -0.214 0.000 2.058 250 E HA -0.217 4.603 4.350 0.784 0.000 0.194 250 E C 1.649 178.157 176.600 -0.154 0.000 0.997 250 E CA 1.356 57.623 56.400 -0.221 0.000 0.801 250 E CB -0.014 29.471 29.700 -0.358 0.000 0.746 250 E HN 0.292 nan 8.360 nan 0.000 0.450 251 Y N -0.092 120.047 120.300 -0.269 0.000 2.314 251 Y HA 0.068 5.087 4.550 0.782 0.000 0.293 251 Y C 2.231 177.962 175.900 -0.281 0.000 1.129 251 Y CA 0.625 58.490 58.100 -0.392 0.000 1.201 251 Y CB -0.877 36.947 38.460 -1.061 0.000 0.999 251 Y HN 0.158 nan 8.280 nan 0.000 0.541 252 A N 0.035 122.822 122.820 -0.055 0.000 2.019 252 A HA -0.160 4.630 4.320 0.784 0.000 0.219 252 A C 1.830 179.431 177.584 0.029 0.000 1.164 252 A CA 1.669 53.730 52.037 0.040 0.000 0.644 252 A CB -0.439 18.589 19.000 0.046 0.000 0.805 252 A HN 0.421 nan 8.150 nan 0.000 0.449 253 N N -0.620 118.088 118.700 0.012 0.000 2.203 253 N HA 0.040 5.251 4.740 0.784 0.000 0.207 253 N C -0.914 174.614 175.510 0.030 0.000 1.130 253 N CA 0.247 53.305 53.050 0.014 0.000 0.861 253 N CB 0.721 39.205 38.487 -0.005 0.000 1.005 253 N HN 0.348 nan 8.380 nan 0.000 0.507 254 D N 0.512 120.951 120.400 0.065 0.000 2.445 254 D HA 0.118 5.229 4.640 0.784 0.000 0.236 254 D C 0.715 177.092 176.300 0.128 0.000 1.315 254 D CA -0.156 53.894 54.000 0.082 0.000 0.924 254 D CB 0.673 41.528 40.800 0.092 0.000 1.447 254 D HN -0.110 nan 8.370 nan 0.000 0.532 255 Q N 0.893 120.733 119.800 0.067 0.000 2.096 255 Q HA -0.186 4.625 4.340 0.784 0.000 0.204 255 Q C 0.917 176.909 176.000 -0.014 0.000 0.982 255 Q CA 1.752 57.577 55.803 0.037 0.000 0.850 255 Q CB 0.196 28.866 28.738 -0.113 0.000 0.901 255 Q HN 0.441 nan 8.270 nan 0.000 0.422 256 D N 0.473 120.849 120.400 -0.039 0.000 2.117 256 D HA -0.180 4.930 4.640 0.784 0.000 0.198 256 D C 1.800 178.163 176.300 0.106 0.000 0.982 256 D CA 1.185 55.174 54.000 -0.018 0.000 0.828 256 D CB 0.078 40.871 40.800 -0.012 0.000 0.967 256 D HN -0.057 nan 8.370 nan 0.000 0.464 257 K N -0.510 119.978 120.400 0.146 0.000 2.057 257 K HA -0.130 4.660 4.320 0.784 0.000 0.207 257 K C 1.921 178.666 176.600 0.242 0.000 1.049 257 K CA 1.064 57.475 56.287 0.206 0.000 0.931 257 K CB -0.862 31.783 32.500 0.241 0.000 0.714 257 K HN 0.213 nan 8.250 nan 0.000 0.440 258 F N 0.235 120.228 119.950 0.072 0.000 2.095 258 F HA -0.132 4.863 4.527 0.780 0.000 0.298 258 F C 1.615 177.485 175.800 0.116 0.000 1.104 258 F CA 1.353 59.211 58.000 -0.238 0.000 1.232 258 F CB -0.630 38.272 39.000 -0.164 0.000 0.987 258 F HN 0.004 nan 8.300 nan 0.000 0.475 259 F N 1.290 121.066 119.950 -0.291 0.000 2.095 259 F HA -0.157 4.841 4.527 0.786 0.000 0.298 259 F C 2.424 178.111 175.800 -0.188 0.000 1.104 259 F CA 1.714 59.519 58.000 -0.324 0.000 1.232 259 F CB -1.080 37.851 39.000 -0.115 0.000 0.987 259 F HN -0.012 nan 8.300 nan 0.000 0.475 260 K N -0.327 120.136 120.400 0.104 0.000 2.057 260 K HA -0.152 4.639 4.320 0.784 0.000 0.206 260 K C 1.697 178.309 176.600 0.020 0.000 1.050 260 K CA 1.544 57.866 56.287 0.058 0.000 0.935 260 K CB -0.241 32.304 32.500 0.075 0.000 0.715 260 K HN 0.121 nan 8.250 nan 0.000 0.439 261 D N 0.304 120.719 120.400 0.025 0.000 2.149 261 D HA -0.128 4.983 4.640 0.784 0.000 0.201 261 D C 1.584 177.869 176.300 -0.024 0.000 0.972 261 D CA 0.718 54.740 54.000 0.036 0.000 0.835 261 D CB -0.213 40.673 40.800 0.143 0.000 0.966 261 D HN 0.047 nan 8.370 nan 0.000 0.476 262 F N 1.369 121.154 119.950 -0.275 0.000 2.095 262 F HA -0.250 4.748 4.527 0.784 0.000 0.298 262 F C 2.563 178.267 175.800 -0.160 0.000 1.104 262 F CA 1.702 59.536 58.000 -0.277 0.000 1.232 262 F CB -0.380 38.269 39.000 -0.584 0.000 0.987 262 F HN -0.125 nan 8.300 nan 0.000 0.475 263 S N -0.039 115.626 115.700 -0.058 0.000 2.359 263 S HA -0.257 4.683 4.470 0.784 0.000 0.224 263 S C 2.120 176.668 174.600 -0.086 0.000 1.035 263 S CA 1.855 60.017 58.200 -0.063 0.000 1.018 263 S CB -0.410 62.767 63.200 -0.038 0.000 0.876 263 S HN 0.494 nan 8.310 nan 0.000 0.448 264 K N 0.673 121.028 120.400 -0.074 0.000 2.026 264 K HA -0.003 4.787 4.320 0.784 0.000 0.208 264 K C 2.467 179.011 176.600 -0.093 0.000 1.048 264 K CA 1.250 57.497 56.287 -0.067 0.000 0.929 264 K CB -0.423 32.056 32.500 -0.036 0.000 0.713 264 K HN 0.450 nan 8.250 nan 0.000 0.439 265 A N 0.800 123.544 122.820 -0.128 0.000 1.930 265 A HA -0.154 4.637 4.320 0.784 0.000 0.217 265 A C 1.972 179.462 177.584 -0.157 0.000 1.175 265 A CA 1.085 53.043 52.037 -0.132 0.000 0.627 265 A CB -0.579 18.338 19.000 -0.139 0.000 0.815 265 A HN 0.300 nan 8.150 nan 0.000 0.443 266 F N 0.636 120.288 119.950 -0.497 0.000 2.206 266 F HA -0.061 4.934 4.527 0.779 0.000 0.298 266 F C 2.194 177.884 175.800 -0.184 0.000 1.090 266 F CA 1.725 59.456 58.000 -0.448 0.000 1.323 266 F CB -0.251 38.282 39.000 -0.778 0.000 1.028 266 F HN 0.447 nan 8.300 nan 0.000 0.492 267 E N 0.337 120.466 120.200 -0.118 0.000 2.077 267 E HA -0.297 4.524 4.350 0.784 0.000 0.193 267 E C 2.355 178.859 176.600 -0.161 0.000 0.989 267 E CA 1.487 57.806 56.400 -0.135 0.000 0.800 267 E CB -0.249 29.399 29.700 -0.086 0.000 0.746 267 E HN 0.412 nan 8.360 nan 0.000 0.452 268 K N 0.367 120.687 120.400 -0.133 0.000 2.032 268 K HA -0.202 4.589 4.320 0.784 0.000 0.209 268 K C 2.342 178.862 176.600 -0.134 0.000 1.048 268 K CA 1.307 57.524 56.287 -0.117 0.000 0.927 268 K CB -0.239 32.215 32.500 -0.076 0.000 0.712 268 K HN 0.170 nan 8.250 nan 0.000 0.441 269 L N 1.141 122.296 121.223 -0.114 0.000 2.012 269 L HA -0.172 4.639 4.340 0.784 0.000 0.210 269 L C 1.887 178.686 176.870 -0.119 0.000 1.073 269 L CA 1.542 56.348 54.840 -0.056 0.000 0.748 269 L CB -0.394 41.669 42.059 0.007 0.000 0.891 269 L HN 0.191 nan 8.230 nan 0.000 0.431 270 L N -0.730 120.364 121.223 -0.215 0.000 2.465 270 L HA -0.045 4.766 4.340 0.784 0.000 0.224 270 L C 2.127 178.929 176.870 -0.113 0.000 1.145 270 L CA 1.304 56.044 54.840 -0.167 0.000 0.834 270 L CB -0.687 41.239 42.059 -0.221 0.000 0.944 270 L HN 0.399 nan 8.230 nan 0.000 0.451 271 E N -1.781 118.336 120.200 -0.140 0.000 2.489 271 E HA 0.087 4.907 4.350 0.784 0.000 0.204 271 E C 0.096 176.555 176.600 -0.234 0.000 1.006 271 E CA -0.337 56.012 56.400 -0.086 0.000 0.936 271 E CB 0.317 30.020 29.700 0.005 0.000 1.002 271 E HN 0.318 nan 8.360 nan 0.000 0.488 272 N N 0.900 119.338 118.700 -0.435 0.000 2.357 272 N HA -0.023 5.188 4.740 0.784 0.000 0.257 272 N C 0.947 175.783 175.510 -1.123 0.000 1.250 272 N CA 1.481 53.941 53.050 -0.983 0.000 0.862 272 N CB 1.083 38.752 38.487 -1.365 0.000 1.066 272 N HN 0.366 nan 8.380 nan 0.000 0.468 273 G N 1.548 109.772 108.800 -0.961 0.000 2.213 273 G HA2 -0.245 4.186 3.960 0.784 0.000 0.236 273 G HA3 -0.245 4.186 3.960 0.784 0.000 0.236 273 G C 0.105 174.893 174.900 -0.187 0.000 0.991 273 G CA -0.232 44.659 45.100 -0.348 0.000 0.629 273 G HN 0.534 nan 8.290 nan 0.000 0.517 274 I N 2.060 122.465 120.570 -0.274 0.000 2.359 274 I HA 0.416 5.056 4.170 0.784 0.000 0.294 274 I C 0.076 175.931 176.117 -0.436 0.000 0.987 274 I CA -0.586 60.483 61.300 -0.385 0.000 1.225 274 I CB 1.864 39.557 38.000 -0.512 0.000 1.366 274 I HN -0.034 nan 8.210 nan 0.000 0.466 275 T N 6.416 120.717 114.554 -0.421 0.000 2.733 275 T HA 0.429 5.250 4.350 0.784 0.000 0.294 275 T C -0.444 174.025 174.700 -0.384 0.000 0.956 275 T CA -0.173 61.756 62.100 -0.285 0.000 0.987 275 T CB 0.040 68.806 68.868 -0.170 0.000 0.920 275 T HN 0.112 nan 8.240 nan 0.000 0.470 276 F N 4.340 124.247 119.950 -0.071 0.000 2.405 276 F HA 0.388 5.385 4.527 0.782 0.000 0.355 276 F C -1.647 174.117 175.800 -0.060 0.000 1.121 276 F CA -2.542 55.412 58.000 -0.076 0.000 1.112 276 F CB 0.401 39.330 39.000 -0.118 0.000 1.126 276 F HN 0.357 nan 8.300 nan 0.000 0.481 277 P HA 0.090 nan 4.420 nan 0.000 0.266 277 P C 0.800 178.130 177.300 0.050 0.000 1.193 277 P CA 0.096 63.228 63.100 0.053 0.000 0.770 277 P CB 0.574 32.300 31.700 0.043 0.000 0.836 278 K N 0.966 121.380 120.400 0.024 0.000 2.211 278 K HA -0.159 4.631 4.320 0.784 0.000 0.204 278 K C 1.300 177.900 176.600 -0.000 0.000 1.047 278 K CA 2.305 58.597 56.287 0.008 0.000 0.935 278 K CB -1.604 30.897 32.500 0.002 0.000 0.728 278 K HN 0.724 nan 8.250 nan 0.000 0.452 279 D N -2.075 118.330 120.400 0.009 0.000 2.340 279 D HA 0.550 5.661 4.640 0.784 0.000 0.217 279 D C 0.820 177.126 176.300 0.010 0.000 1.081 279 D CA 0.119 54.123 54.000 0.007 0.000 0.842 279 D CB -0.270 40.537 40.800 0.013 0.000 0.934 279 D HN 0.718 nan 8.370 nan 0.000 0.511 280 A N 1.401 124.229 122.820 0.014 0.000 2.466 280 A HA 0.475 5.266 4.320 0.784 0.000 0.238 280 A C -1.762 175.790 177.584 -0.054 0.000 1.074 280 A CA -0.974 51.067 52.037 0.008 0.000 0.774 280 A CB -0.523 18.510 19.000 0.054 0.000 1.015 280 A HN 0.258 nan 8.150 nan 0.000 0.498 281 P HA 0.146 nan 4.420 nan 0.000 0.268 281 P C -0.020 177.119 177.300 -0.269 0.000 1.208 281 P CA -0.025 63.004 63.100 -0.119 0.000 0.777 281 P CB 0.332 31.976 31.700 -0.093 0.000 0.875 282 S N 2.766 118.327 115.700 -0.233 0.000 2.580 282 S HA 0.183 5.123 4.470 0.784 0.000 0.266 282 S C -2.085 172.215 174.600 -0.501 0.000 1.354 282 S CA -0.660 57.360 58.200 -0.299 0.000 1.008 282 S CB -0.876 62.212 63.200 -0.188 0.000 0.898 282 S HN 0.400 nan 8.310 nan 0.000 0.555 283 P HA 0.137 nan 4.420 nan 0.000 0.266 283 P C -0.816 176.257 177.300 -0.378 0.000 1.195 283 P CA 0.067 62.849 63.100 -0.530 0.000 0.768 283 P CB 0.137 31.617 31.700 -0.366 0.000 0.838 284 F N 2.243 122.084 119.950 -0.181 0.000 2.396 284 F HA 0.363 5.360 4.527 0.784 0.000 0.343 284 F C 0.911 176.483 175.800 -0.380 0.000 1.104 284 F CA -0.508 57.344 58.000 -0.246 0.000 1.161 284 F CB 0.073 38.885 39.000 -0.314 0.000 1.146 284 F HN 0.096 nan 8.300 nan 0.000 0.522 285 I N 4.457 124.960 120.570 -0.112 0.000 2.390 285 I HA 0.232 4.873 4.170 0.784 0.000 0.283 285 I C -0.831 175.223 176.117 -0.105 0.000 1.016 285 I CA -0.529 60.689 61.300 -0.136 0.000 1.151 285 I CB 0.438 38.402 38.000 -0.060 0.000 1.293 285 I HN 0.269 nan 8.210 nan 0.000 0.458 286 F N 5.051 125.039 119.950 0.063 0.000 2.471 286 F HA 0.253 5.250 4.527 0.782 0.000 0.353 286 F C 0.998 176.623 175.800 -0.292 0.000 1.113 286 F CA -0.426 57.428 58.000 -0.244 0.000 1.262 286 F CB 0.349 38.880 39.000 -0.781 0.000 1.146 286 F HN 0.278 nan 8.300 nan 0.000 0.578 287 K N 1.416 121.784 120.400 -0.053 0.000 2.270 287 K HA 0.237 5.028 4.320 0.784 0.000 0.276 287 K C 0.409 176.928 176.600 -0.136 0.000 1.023 287 K CA -0.475 55.782 56.287 -0.050 0.000 0.955 287 K CB 0.566 33.081 32.500 0.025 0.000 0.975 287 K HN 0.768 nan 8.250 nan 0.000 0.471 288 T N -0.548 114.023 114.554 0.029 0.000 2.766 288 T HA 0.086 4.906 4.350 0.784 0.000 0.295 288 T C 1.602 176.404 174.700 0.170 0.000 1.024 288 T CA -0.572 61.638 62.100 0.184 0.000 1.018 288 T CB 0.425 69.392 68.868 0.166 0.000 1.002 288 T HN 0.460 nan 8.240 nan 0.000 0.532 289 L N 0.081 121.431 121.223 0.212 0.000 2.012 289 L HA -0.110 4.701 4.340 0.784 0.000 0.210 289 L C 3.079 180.004 176.870 0.092 0.000 1.073 289 L CA 2.136 57.055 54.840 0.132 0.000 0.748 289 L CB -0.733 41.390 42.059 0.106 0.000 0.891 289 L HN 0.918 nan 8.230 nan 0.000 0.431 290 E N 0.609 120.863 120.200 0.090 0.000 2.085 290 E HA -0.275 4.546 4.350 0.784 0.000 0.194 290 E C 1.945 178.583 176.600 0.063 0.000 0.994 290 E CA 1.637 58.079 56.400 0.070 0.000 0.801 290 E CB 0.029 29.772 29.700 0.072 0.000 0.743 290 E HN 0.502 nan 8.360 nan 0.000 0.453 291 E N -0.202 120.038 120.200 0.067 0.000 2.268 291 E HA -0.175 4.646 4.350 0.784 0.000 0.195 291 E C 1.888 178.517 176.600 0.050 0.000 0.995 291 E CA 0.827 57.260 56.400 0.054 0.000 0.836 291 E CB 0.073 29.805 29.700 0.052 0.000 0.763 291 E HN 0.391 nan 8.360 nan 0.000 0.491 292 Q N -0.766 119.067 119.800 0.055 0.000 2.360 292 Q HA 0.099 4.910 4.340 0.784 0.000 0.202 292 Q C 0.816 176.843 176.000 0.044 0.000 0.915 292 Q CA 0.349 56.181 55.803 0.049 0.000 0.943 292 Q CB 0.947 29.716 28.738 0.052 0.000 1.064 292 Q HN 0.336 nan 8.270 nan 0.000 0.511 293 G N 1.102 109.929 108.800 0.045 0.000 2.176 293 G HA2 -0.269 4.162 3.960 0.784 0.000 0.252 293 G HA3 -0.269 4.162 3.960 0.784 0.000 0.252 293 G C -0.107 174.817 174.900 0.040 0.000 1.024 293 G CA 0.172 45.296 45.100 0.039 0.000 0.755 293 G HN 0.221 nan 8.290 nan 0.000 0.507 294 L N 0.000 121.251 121.223 0.046 0.000 2.949 294 L HA 0.000 4.811 4.340 0.784 0.000 0.249 294 L CA 0.000 54.867 54.840 0.044 0.000 0.813 294 L CB 0.000 42.089 42.059 0.049 0.000 0.961 294 L HN 0.000 nan 8.230 nan 0.000 0.502